#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 -0.30 0.11 0.55 0.00 -1.26 -5.08 107.32 101.33 2cv4 s GLY 3 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 44.72 46.21 2cv4 s GLY 3 CO 0.00 0.84 1.05 -0.45 0.00 0.00 0.00 173.10 174.54 2cv4 s SER 4 N -1.49 7.34 0.11 1.64 0.15 -1.26 -5.07 113.70 115.12 2cv4 s SER 4 Ca 0.01 1.90 0.04 0.00 0.70 0.00 0.00 55.95 58.60 2cv4 s SER 4 Cb -0.01 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2cv4 s SER 4 CO -0.01 -0.21 -0.11 -0.63 1.20 0.00 0.00 173.24 173.48 2cv4 s ILE 5 N 0.26 1.05 0.64 6.45 1.09 -1.26 -3.80 121.20 125.63 2cv4 s ILE 5 Ca 0.50 -1.78 -0.11 0.00 -1.10 0.00 0.00 60.65 58.16 2cv4 s ILE 5 Cb -0.26 -1.54 -0.02 0.00 -1.06 0.00 0.00 42.46 39.58 2cv4 s ILE 5 CO 0.31 -0.61 1.04 -2.84 -0.10 0.00 0.00 174.94 172.74 2cv4 s PRO 6 N -3.09 3.37 0.15 2.79 0.02 -1.26 -5.02 135.00 131.95 2cv4 s PRO 6 Ca 0.09 0.86 0.08 0.00 0.02 0.00 0.00 61.00 62.06 2cv4 s PRO 6 Cb -0.01 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2cv4 s PRO 6 CO 0.00 -0.75 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.29 2cv4 s LEU 7 N -5.21 2.92 0.22 -5.54 1.43 -1.26 -5.06 118.68 106.19 2cv4 s LEU 7 Ca 0.57 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.82 2cv4 s LEU 7 Cb -0.12 -1.67 -0.12 0.00 0.03 0.00 0.00 46.19 44.31 2cv4 s LEU 7 CO 0.52 0.14 1.68 -0.38 0.23 0.00 0.00 176.35 178.54 2cv4 n ILE 8 N 0.37 0.24 0.00 -0.59 5.41 -1.26 -0.96 119.36 122.57 2cv4 n ILE 8 Ca -0.12 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2cv4 n ILE 8 Cb 0.54 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 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 3.51 1.01 3.92 7.39 0.00 0.11 -5.03 105.19 116.09 2cv4 n GLY 9 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.91 3.15 0.09 1.61 2.02 -0.13 -4.84 118.70 119.68 2cv4 s GLU 10 Ca 0.00 0.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.74 2cv4 s GLU 10 Cb 0.00 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 31.84 2cv4 s GLU 10 CO 0.00 -0.49 0.87 0.50 0.02 0.00 0.00 175.26 176.16 2cv4 s ARG 11 N -4.87 4.61 0.22 1.61 3.52 -1.26 -1.30 118.95 121.47 2cv4 s ARG 11 Ca 0.51 1.28 -0.32 0.00 -0.13 0.00 0.00 55.73 57.07 2cv4 s ARG 11 Cb -0.10 -3.37 -0.12 0.00 -1.56 0.00 0.00 34.95 29.80 2cv4 s ARG 11 CO 0.44 0.26 1.66 0.34 -0.81 0.00 0.00 175.30 177.20 2cv4 n PHE 12 N 2.73 2.65 -1.59 5.12 -0.00 0.18 -4.85 117.46 121.69 2cv4 n PHE 12 Ca -0.00 0.14 -0.51 0.00 -0.00 0.00 0.00 57.45 57.08 2cv4 n PHE 12 Cb 0.50 -2.63 -0.05 0.00 -0.00 0.00 0.00 39.48 37.29 2cv4 n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2cv4 n PRO 13 N 3.47 1.23 -2.30 -7.13 -0.02 -1.26 -4.54 135.00 124.45 2cv4 n PRO 13 Ca 0.15 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 2cv4 n PRO 13 Cb 0.34 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.33 4.04 -0.08 -0.52 0.41 -1.26 -4.43 118.70 117.19 2cv4 s GLU 14 Ca 0.82 1.82 0.02 0.00 -0.41 0.00 0.00 54.97 57.23 2cv4 s GLU 14 Cb -0.91 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 28.79 2cv4 s GLU 14 CO 0.47 -0.33 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.56 2cv4 s GLU 16 N -2.33 1.99 0.12 1.61 2.02 -1.26 -5.00 118.70 115.85 2cv4 s GLU 16 Ca 0.57 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 55.14 2cv4 s GLU 16 Cb -0.30 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 2cv4 s GLU 16 CO 0.38 0.04 -0.19 0.14 0.02 0.00 0.00 175.26 175.65 2cv4 s VAL 17 N 0.66 1.66 -0.25 2.63 -7.23 0.14 -4.95 120.40 113.06 2cv4 s VAL 17 Ca -0.14 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 2cv4 s VAL 17 Cb -0.16 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2cv4 s VAL 17 CO 0.04 -0.21 0.20 -0.89 -0.31 0.00 0.00 175.10 173.94 2cv4 s THR 18 N -1.60 5.32 0.48 5.32 2.01 -1.26 -0.79 115.64 125.11 2cv4 s THR 18 Ca 0.09 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.37 2cv4 s THR 18 Cb -0.08 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 2cv4 s THR 18 CO 0.05 0.30 0.06 0.42 -0.69 0.00 0.00 174.62 174.76 2cv4 s THR 19 N 1.29 0.85 0.58 -0.82 -4.23 -0.60 -0.59 115.64 112.13 2cv4 s THR 19 Ca 0.09 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 2cv4 s THR 19 Cb -0.14 -2.18 0.39 0.00 1.34 0.00 0.00 72.50 71.91 2cv4 s THR 19 CO 0.07 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.52 2cv4 h ASP 20 N 1.49 0.00 -0.04 3.99 5.19 -1.66 -1.87 116.42 123.52 2cv4 h ASP 20 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2cv4 h ASP 20 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2cv4 h ASP 20 CO 0.66 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 178.19 2cv4 n HIS 21 N -3.87 0.04 0.00 4.55 8.25 -1.26 -4.97 115.22 117.96 2cv4 n HIS 21 Ca 0.09 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2cv4 n HIS 21 Cb 0.65 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 0.51 0.16 3.76 -1.41 0.00 -0.70 -5.04 105.19 102.48 2cv4 n GLY 22 Ca 0.06 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.35 3.69 0.01 1.61 1.01 -1.26 -1.55 120.40 123.56 2cv4 s VAL 23 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.57 2cv4 s VAL 23 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2cv4 s VAL 23 CO 0.00 0.28 -0.03 -0.63 0.00 0.00 0.00 175.10 174.72 2cv4 s ILE 24 N -1.32 0.20 -0.21 2.22 1.01 0.03 -4.95 121.20 118.18 2cv4 s ILE 24 Ca 0.47 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2cv4 s ILE 24 Cb -0.28 -0.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 2cv4 s ILE 24 CO 0.35 -0.22 0.11 -0.75 0.00 0.00 0.00 174.94 174.43 2cv4 s LYS 25 N -0.80 4.05 -0.08 2.79 2.20 -1.26 0.26 119.74 126.89 2cv4 s LYS 25 Ca -0.07 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2cv4 s LYS 25 Cb -0.06 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2cv4 s LYS 25 CO -0.00 0.18 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.59 2cv4 s LEU 26 N 0.68 3.15 0.00 5.43 1.43 -1.26 -1.47 118.68 126.64 2cv4 s LEU 26 Ca 0.06 -0.05 0.22 0.00 -1.03 0.00 0.00 54.13 53.33 2cv4 s LEU 26 Cb -0.13 -1.70 0.56 0.00 0.03 0.00 0.00 46.19 44.96 2cv4 s LEU 26 CO 0.01 0.33 1.46 -0.81 0.23 0.00 0.00 176.35 177.57 2cv4 n PRO 27 N 2.47 2.15 -0.22 1.29 -0.04 -1.26 -4.14 135.00 135.25 2cv4 n PRO 27 Ca -0.18 -1.73 -0.08 0.00 -0.04 0.00 0.00 63.50 61.47 2cv4 n PRO 27 Cb 0.53 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 2cv4 n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cv4 h ASP 28 N 3.44 -1.53 -1.07 3.54 5.19 -1.96 0.20 116.42 124.23 2cv4 h ASP 28 Ca 0.00 0.25 0.34 0.00 -0.62 0.00 0.00 57.03 57.00 2cv4 h ASP 28 Cb 0.76 0.69 -0.14 0.00 0.18 0.00 0.00 39.33 40.82 2cv4 h ASP 28 CO 0.00 -0.33 0.64 -0.74 -3.12 0.00 0.00 179.24 175.69 2cv4 h HIS 29 N -0.22 0.81 0.07 4.55 2.76 -1.62 0.41 115.15 121.92 2cv4 h HIS 29 Ca 0.18 0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 58.06 2cv4 h HIS 29 Cb 0.56 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 2cv4 h HIS 29 CO -0.73 -0.15 -1.79 0.66 -1.30 0.00 0.00 177.93 174.62 2cv4 n TYR 30 N -4.92 1.09 -0.12 5.26 4.01 -0.32 -4.07 117.16 118.09 2cv4 n TYR 30 Ca 0.32 0.31 -0.05 0.00 -0.16 0.00 0.00 57.90 58.32 2cv4 n TYR 30 Cb 1.07 -1.13 0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.33 0.54 -0.53 -0.72 2.07 0.67 -0.61 116.25 117.33 2cv4 h VAL 31 Ca -0.42 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.26 2cv4 h VAL 31 Cb 1.77 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2cv4 h VAL 31 CO -0.04 0.00 0.42 0.77 0.02 0.00 0.00 177.57 178.74 2cv4 h SER 32 N -0.04 0.00 -0.38 0.57 4.64 -0.43 0.71 113.55 118.61 2cv4 h SER 32 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2cv4 h SER 32 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2cv4 h SER 32 CO -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.53 2cv4 n GLN 33 N -4.17 2.11 -2.63 4.77 6.02 -0.35 -4.90 117.38 118.22 2cv4 n GLN 33 Ca 0.10 -1.70 -0.19 0.00 -0.01 0.00 0.00 57.00 55.19 2cv4 n GLN 33 Cb 0.64 -1.42 0.01 0.00 1.02 0.00 0.00 30.24 30.50 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 1.29 -0.39 3.64 1.08 0.00 0.25 -4.98 105.19 106.08 2cv4 n GLY 34 Ca 0.17 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.24 2.65 0.38 1.61 1.02 -0.52 -4.85 119.74 114.80 2cv4 s LYS 35 Ca 0.13 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 2cv4 s LYS 35 Cb -0.06 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2cv4 s LYS 35 CO 0.16 0.61 0.68 -1.58 -0.92 0.00 0.00 175.35 174.30 2cv4 s TRP 36 N -1.05 3.50 -0.00 3.18 0.52 -0.97 -4.03 118.94 120.09 2cv4 s TRP 36 Ca 0.19 0.75 -0.01 0.00 0.02 0.00 0.00 56.10 57.05 2cv4 s TRP 36 Cb -0.11 -2.22 -0.00 0.00 -1.15 0.00 0.00 33.47 29.99 2cv4 s TRP 36 CO 0.09 -0.04 0.02 -0.59 0.02 0.00 0.00 176.95 176.46 2cv4 s PHE 37 N -2.39 0.04 -0.35 -1.98 -0.71 -0.71 -0.43 117.98 111.45 2cv4 s PHE 37 Ca 0.46 -0.07 -0.11 0.00 -1.04 0.00 0.00 56.93 56.17 2cv4 s PHE 37 Cb -0.10 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.68 2cv4 s PHE 37 CO 0.36 -0.08 0.19 0.08 -1.34 0.00 0.00 175.22 174.44 2cv4 s VAL 38 N -0.43 4.70 -0.27 -2.49 1.01 0.12 -1.60 120.40 121.44 2cv4 s VAL 38 Ca -0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2cv4 s VAL 38 Cb -0.03 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2cv4 s VAL 38 CO -0.00 -0.10 0.17 -0.22 0.00 0.00 0.00 175.10 174.95 2cv4 s LEU 39 N 1.60 3.96 0.09 3.92 0.20 -0.72 -1.81 118.68 125.93 2cv4 s LEU 39 Ca 0.04 -0.02 0.09 0.00 0.69 0.00 0.00 54.13 54.92 2cv4 s LEU 39 Cb -0.18 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 2cv4 s LEU 39 CO 0.07 -0.04 -0.23 0.72 -0.29 0.00 0.00 176.35 176.59 2cv4 s PHE 40 N 1.67 1.96 0.28 5.38 -0.12 -0.77 -0.62 117.98 125.76 2cv4 s PHE 40 Ca 0.07 -0.40 0.12 0.00 -0.05 0.00 0.00 56.93 56.66 2cv4 s PHE 40 Cb -0.16 -1.09 -0.05 0.00 -0.63 0.00 0.00 43.02 41.09 2cv4 s PHE 40 CO 0.09 0.21 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.77 2cv4 s SER 41 N -1.77 3.73 -0.07 1.98 1.04 -0.14 -1.51 113.70 116.96 2cv4 s SER 41 Ca 0.09 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 2cv4 s SER 41 Cb -0.10 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.67 2cv4 s SER 41 CO 0.04 0.02 0.27 -1.38 0.98 0.00 0.00 173.24 173.17 2cv4 s HIS 42 N -2.49 -0.24 0.21 5.02 -3.43 -0.56 -3.93 115.29 109.87 2cv4 s HIS 42 Ca 0.30 0.53 -0.09 0.00 -0.80 0.00 0.00 55.06 55.01 2cv4 s HIS 42 Cb -0.05 0.09 0.30 0.00 -1.43 0.00 0.00 32.58 31.49 2cv4 s HIS 42 CO 0.16 -0.22 1.76 -1.00 -2.00 0.00 0.00 174.74 173.43 2cv4 h PRO 43 N 5.08 0.46 -1.74 -0.38 0.13 -1.77 -3.38 132.00 130.41 2cv4 h PRO 43 Ca -0.27 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.85 2cv4 h PRO 43 Cb 1.19 -0.10 -0.22 0.00 0.13 0.00 0.00 31.00 31.99 2cv4 h PRO 43 CO 0.35 0.31 0.39 0.00 -0.23 0.00 0.00 178.00 178.82 2cv4 s ALA 44 N -6.08 -1.88 0.88 -0.56 0.00 -1.26 -4.28 121.76 108.58 2cv4 s ALA 44 Ca -0.13 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2cv4 s ALA 44 Cb 0.17 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.77 2cv4 s ALA 44 CO 0.75 -0.32 1.10 -0.51 0.00 0.00 0.00 175.76 176.79 2cv4 s ASP 45 N -0.81 3.49 -1.45 0.00 1.01 -1.26 -3.64 116.67 114.02 2cv4 s ASP 45 Ca -0.04 1.84 -0.08 0.00 0.71 0.00 0.00 52.55 54.99 2cv4 s ASP 45 Cb -0.01 -2.44 0.05 0.00 1.01 0.00 0.00 42.92 41.52 2cv4 s ASP 45 CO 0.03 -2.68 0.82 0.49 0.21 0.00 0.00 175.17 174.04 2cv4 n PHE 46 N -3.94 -2.08 -4.67 4.23 3.01 -1.26 -5.00 117.46 107.75 2cv4 n PHE 46 Ca 0.09 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 59.18 2cv4 n PHE 46 Cb 0.53 -4.08 -0.16 0.00 -0.01 0.00 0.00 39.48 35.77 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 -3.50 1.18 0.18 4.37 -4.23 -1.24 -5.09 115.64 107.32 2cv4 s THR 47 Ca 0.36 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 2cv4 s THR 47 Cb -0.18 -1.01 0.09 0.00 1.34 0.00 0.00 72.50 72.73 2cv4 s THR 47 CO 0.83 0.34 1.75 1.55 -0.54 0.00 0.00 174.62 178.55 2cv4 h PRO 48 N 6.21 0.34 -1.10 3.99 0.14 -1.94 -1.19 132.00 138.44 2cv4 h PRO 48 Ca -0.33 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.79 2cv4 h PRO 48 Cb 1.17 -0.08 0.00 0.00 0.14 0.00 0.00 31.00 32.23 2cv4 h PRO 48 CO 0.48 0.22 0.00 0.28 0.14 0.00 0.00 178.00 179.12 2cv4 n VAL 49 N -5.01 0.17 0.00 1.56 0.31 -1.26 -0.99 118.33 113.11 2cv4 n VAL 49 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2cv4 n VAL 49 Cb 0.20 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 0.64 0.00 -0.03 2.52 -1.04 -0.45 -1.06 114.28 114.85 2cv4 n THR 51 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2cv4 n THR 51 Cb 0.12 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.83 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 1.24 -0.35 12.58 1.35 -1.33 -2.43 112.91 123.97 2cv4 h THR 52 Ca 0.00 -1.09 -0.07 0.00 -0.55 0.00 0.00 66.41 64.70 2cv4 h THR 52 Cb 0.00 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2cv4 h THR 52 CO 0.00 0.36 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.25 2cv4 h GLU 53 N 0.55 0.66 -0.94 4.72 5.08 -1.37 -1.41 114.58 121.88 2cv4 h GLU 53 Ca 0.10 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2cv4 h GLU 53 Cb 0.54 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2cv4 h GLU 53 CO 0.03 0.80 0.59 0.74 -1.00 0.00 0.00 179.01 180.18 2cv4 h PHE 54 N 0.46 1.21 -0.43 4.33 -1.00 -1.80 0.18 116.94 119.88 2cv4 h PHE 54 Ca 0.09 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 2cv4 h PHE 54 Cb 0.54 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 2cv4 h PHE 54 CO 0.04 0.78 -0.01 0.28 -1.61 0.00 0.00 178.31 177.79 2cv4 h VAL 55 N 1.28 1.23 -0.23 -0.55 2.07 -1.31 -0.44 116.25 118.30 2cv4 h VAL 55 Ca 0.34 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2cv4 h VAL 55 Cb -0.10 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2cv4 h VAL 55 CO -0.07 0.34 -0.00 -1.28 0.02 0.00 0.00 177.57 176.57 2cv4 h SER 56 N 0.66 0.40 -0.69 0.57 0.87 0.02 -1.17 113.55 114.21 2cv4 h SER 56 Ca 0.13 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2cv4 h SER 56 Cb 0.43 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2cv4 h SER 56 CO 0.02 0.62 0.46 -0.26 -0.53 0.00 0.00 176.83 177.14 2cv4 h PHE 57 N 0.18 0.87 -0.47 2.24 0.04 -0.54 -2.58 116.94 116.67 2cv4 h PHE 57 Ca 0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2cv4 h PHE 57 Cb 0.42 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2cv4 h PHE 57 CO 0.04 0.55 0.26 0.00 -0.60 0.00 0.00 178.31 178.55 2cv4 h ALA 58 N 1.25 0.61 0.00 2.45 0.00 -0.93 -1.48 119.26 121.15 2cv4 h ALA 58 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2cv4 h ALA 58 Cb -0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2cv4 h ALA 58 CO -0.06 0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 2cv4 h ARG 59 N 0.62 0.00 -0.40 0.00 2.47 -0.95 -2.55 114.38 113.58 2cv4 h ARG 59 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2cv4 h ARG 59 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2cv4 h ARG 59 CO -0.03 0.07 0.00 0.54 0.56 0.00 0.00 179.97 181.11 2cv4 n ARG 60 N -3.72 3.25 -0.23 0.04 1.74 -0.71 -4.61 116.66 112.41 2cv4 n ARG 60 Ca -0.02 -2.65 -0.03 0.00 -0.77 0.00 0.00 57.85 54.38 2cv4 n ARG 60 Cb 0.17 -1.72 0.08 0.00 -1.02 0.00 0.00 32.46 29.97 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 2.57 0.73 -0.39 -1.55 5.03 -0.86 -2.43 116.97 120.07 2cv4 h TYR 61 Ca 0.00 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.35 2cv4 h TYR 61 Cb 1.28 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.30 2cv4 h TYR 61 CO 0.53 0.38 0.23 0.93 -1.32 0.00 0.00 178.16 178.91 2cv4 h GLU 62 N 0.75 0.45 -0.68 1.82 4.39 -1.83 0.23 114.58 119.71 2cv4 h GLU 62 Ca 0.28 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.04 2cv4 h GLU 62 Cb 0.10 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2cv4 h GLU 62 CO -0.14 0.30 0.33 -0.44 -1.16 0.00 0.00 179.01 177.89 2cv4 h ASP 63 N 0.46 0.42 -0.45 1.42 3.32 -1.78 0.20 116.42 120.01 2cv4 h ASP 63 Ca 0.15 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 2cv4 h ASP 63 Cb 0.01 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2cv4 h ASP 63 CO -0.07 0.25 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.42 2cv4 h PHE 64 N 0.57 0.89 -0.50 4.55 0.04 -0.98 -3.00 116.94 118.50 2cv4 h PHE 64 Ca 0.33 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2cv4 h PHE 64 Cb 0.35 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2cv4 h PHE 64 CO -0.12 0.87 0.33 1.96 -0.60 0.00 0.00 178.31 180.75 2cv4 h GLN 65 N 0.65 0.67 -0.19 1.51 1.08 -0.02 0.35 115.11 119.16 2cv4 h GLN 65 Ca 0.13 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2cv4 h GLN 65 Cb 0.52 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2cv4 h GLN 65 CO 0.03 0.45 0.16 0.00 -0.95 0.00 0.00 178.83 178.52 2cv4 h ARG 66 N 0.68 0.00 -0.01 1.46 3.08 -0.57 0.13 114.38 119.15 2cv4 h ARG 66 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2cv4 h ARG 66 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2cv4 h ARG 66 CO -0.04 0.00 -0.12 1.28 -1.07 0.00 0.00 179.97 180.02 2cv4 n LEU 67 N -4.18 1.13 -0.04 3.04 4.77 -0.60 -4.90 117.00 116.23 2cv4 n LEU 67 Ca 0.02 -0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2cv4 n LEU 67 Cb 0.29 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2cv4 n LEU 67 CO 0.32 0.20 -0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2cv4 n GLY 68 N 1.25 0.36 3.38 -0.72 0.00 0.03 -4.92 105.19 104.57 2cv4 n GLY 68 Ca 0.16 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.02 3.33 0.14 1.61 1.01 0.11 -2.29 120.40 122.30 2cv4 s VAL 69 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2cv4 s VAL 69 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2cv4 s VAL 69 CO 0.00 0.49 0.33 -1.81 0.00 0.00 0.00 175.10 174.10 2cv4 s ASP 70 N 0.71 6.41 0.01 3.32 1.01 0.42 -3.56 116.67 124.99 2cv4 s ASP 70 Ca -0.04 0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.65 2cv4 s ASP 70 Cb -0.15 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2cv4 s ASP 70 CO 0.02 0.05 -0.02 -0.76 0.21 0.00 0.00 175.17 174.68 2cv4 s LEU 71 N -2.87 3.41 -0.18 1.23 1.43 -1.26 0.13 118.68 120.57 2cv4 s LEU 71 Ca 0.38 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 2cv4 s LEU 71 Cb -0.12 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2cv4 s LEU 71 CO 0.27 0.27 0.44 -0.51 0.23 0.00 0.00 176.35 177.06 2cv4 s ILE 72 N -1.07 -0.07 0.48 -0.59 2.07 -0.75 -4.28 121.20 116.98 2cv4 s ILE 72 Ca 0.19 0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.57 2cv4 s ILE 72 Cb -0.11 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.84 2cv4 s ILE 72 CO 0.10 0.04 0.66 -0.83 -1.91 0.00 0.00 174.94 173.00 2cv4 s GLY 73 N 1.52 1.90 -0.16 1.50 0.00 -0.21 -1.85 107.32 110.02 2cv4 s GLY 73 Ca -0.09 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 42.91 2cv4 s GLY 73 CO -0.14 -1.31 0.48 -2.27 0.00 0.00 0.00 173.10 169.86 2cv4 s LEU 74 N -4.53 0.17 0.16 0.66 0.20 -0.57 0.17 118.68 114.94 2cv4 s LEU 74 Ca 0.56 0.87 -0.20 0.00 0.69 0.00 0.00 54.13 56.04 2cv4 s LEU 74 Cb -0.10 1.68 0.05 0.00 -0.43 0.00 0.00 46.19 47.39 2cv4 s LEU 74 CO 0.35 -0.23 0.54 -0.55 -0.29 0.00 0.00 176.35 176.18 2cv4 s SER 75 N -0.00 -0.43 0.33 3.68 0.15 -1.09 -1.50 113.70 114.84 2cv4 s SER 75 Ca -0.02 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 56.72 2cv4 s SER 75 Cb -0.03 0.57 0.89 0.00 -1.71 0.00 0.00 66.02 65.73 2cv4 s SER 75 CO 0.02 -0.96 1.77 0.58 1.20 0.00 0.00 173.24 175.84 2cv4 h VAL 76 N 2.13 0.00 -4.05 4.45 2.07 -1.75 -1.36 116.25 117.74 2cv4 h VAL 76 Ca -0.33 -0.50 -0.48 0.00 0.82 0.00 0.00 66.70 66.21 2cv4 h VAL 76 Cb 1.29 1.41 0.15 0.00 -1.52 0.00 0.00 31.29 32.62 2cv4 h VAL 76 CO 0.40 0.00 0.24 -1.81 0.02 0.00 0.00 177.57 176.42 2cv4 s ASP 77 N -4.96 3.35 0.68 0.57 1.01 -1.26 -2.55 116.67 113.51 2cv4 s ASP 77 Ca 0.06 1.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.68 2cv4 s ASP 77 Cb 0.09 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2cv4 s ASP 77 CO 0.54 -2.71 1.07 -0.94 0.21 0.00 0.00 175.17 173.34 2cv4 s SER 78 N -3.40 5.70 0.47 0.27 1.04 -1.26 -3.39 113.70 113.13 2cv4 s SER 78 Ca 0.64 1.26 0.13 0.00 0.48 0.00 0.00 55.95 58.46 2cv4 s SER 78 Cb -0.18 -2.15 1.08 0.00 0.10 0.00 0.00 66.02 64.86 2cv4 s SER 78 CO 0.57 -1.19 2.08 -0.37 0.98 0.00 0.00 173.24 175.31 2cv4 h VAL 79 N -0.55 1.06 -0.61 5.02 -1.51 -1.94 -1.34 116.25 116.39 2cv4 h VAL 79 Ca -0.45 -0.23 -0.07 0.00 -1.23 0.00 0.00 66.70 64.73 2cv4 h VAL 79 Cb 1.23 0.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 2cv4 h VAL 79 CO 0.63 0.08 0.10 -0.26 -1.23 0.00 0.00 177.57 176.89 2cv4 h PHE 80 N 0.16 1.04 -0.43 5.19 0.04 -2.00 -0.84 116.94 120.10 2cv4 h PHE 80 Ca 0.04 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.57 2cv4 h PHE 80 Cb 0.08 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 2cv4 h PHE 80 CO 0.00 0.88 -0.15 0.77 -0.60 0.00 0.00 178.31 179.21 2cv4 h SER 81 N 0.93 0.87 -0.64 2.17 0.02 -1.76 -1.75 113.55 113.40 2cv4 h SER 81 Ca 0.19 -0.38 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2cv4 h SER 81 Cb 0.40 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2cv4 h SER 81 CO 0.01 1.06 0.32 0.45 -1.14 0.00 0.00 176.83 177.53 2cv4 h HIS 82 N 0.68 0.58 -0.28 3.45 3.86 -0.68 0.28 115.15 123.04 2cv4 h HIS 82 Ca 0.10 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.15 2cv4 h HIS 82 Cb 0.70 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2cv4 h HIS 82 CO 0.05 0.25 -0.56 0.82 0.86 0.00 0.00 177.93 179.34 2cv4 h ILE 83 N 0.58 1.27 -0.26 2.45 2.04 -1.07 0.45 117.51 122.98 2cv4 h ILE 83 Ca 0.30 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 2cv4 h ILE 83 Cb 0.25 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2cv4 h ILE 83 CO -0.22 0.57 -0.09 0.11 0.00 0.00 0.00 178.15 178.53 2cv4 h LYS 84 N 0.67 0.41 -0.08 2.37 1.79 -0.64 0.33 116.57 121.42 2cv4 h LYS 84 Ca 0.01 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 2cv4 h LYS 84 Cb 1.18 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2cv4 h LYS 84 CO 0.13 0.51 -0.16 2.35 -1.08 0.00 0.00 179.45 181.20 2cv4 h TRP 85 N 0.39 0.31 -0.74 -1.35 7.01 -0.06 -0.77 115.95 120.73 2cv4 h TRP 85 Ca 0.08 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2cv4 h TRP 85 Cb 0.40 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 2cv4 h TRP 85 CO 0.01 0.76 0.47 0.87 -2.79 0.00 0.00 178.44 177.76 2cv4 h LYS 86 N -0.23 0.99 -0.43 2.65 1.57 0.25 -1.05 116.57 120.32 2cv4 h LYS 86 Ca 0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2cv4 h LYS 86 Cb 0.74 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2cv4 h LYS 86 CO 0.04 0.67 0.17 1.49 -0.57 0.00 0.00 179.45 181.25 2cv4 h GLU 87 N 1.02 0.64 -0.46 3.15 4.81 -0.13 -1.92 114.58 121.70 2cv4 h GLU 87 Ca 0.27 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2cv4 h GLU 87 Cb -0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2cv4 h GLU 87 CO -0.06 0.60 0.28 2.35 -0.73 0.00 0.00 179.01 181.46 2cv4 h TRP 88 N 0.55 0.53 -0.32 0.92 7.01 -0.69 0.64 115.95 124.60 2cv4 h TRP 88 Ca 0.14 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.17 2cv4 h TRP 88 Cb 0.20 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 2cv4 h TRP 88 CO 0.00 0.32 0.19 0.82 -2.79 0.00 0.00 178.44 176.98 2cv4 h ILE 89 N 0.57 1.04 -0.45 2.65 2.04 -0.91 0.14 117.51 122.59 2cv4 h ILE 89 Ca 0.18 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2cv4 h ILE 89 Cb -0.02 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2cv4 h ILE 89 CO -0.06 0.07 0.29 -0.08 0.00 0.00 0.00 178.15 178.37 2cv4 h GLU 90 N 0.39 0.57 -0.37 2.37 4.81 -1.09 0.97 114.58 122.23 2cv4 h GLU 90 Ca 0.12 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2cv4 h GLU 90 Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2cv4 h GLU 90 CO -0.05 0.38 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.26 2cv4 h ARG 91 N 0.59 0.76 0.00 1.92 2.43 -0.40 -1.42 114.38 118.26 2cv4 h ARG 91 Ca 0.17 -0.32 -0.18 0.00 -0.81 0.00 0.00 59.98 58.83 2cv4 h ARG 91 Cb -0.05 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2cv4 h ARG 91 CO -0.05 0.94 -1.97 0.72 -1.51 0.00 0.00 179.97 178.10 2cv4 n HIS 92 N -4.10 0.28 -0.02 2.20 8.25 0.44 -4.51 115.22 117.77 2cv4 n HIS 92 Ca -0.00 0.09 0.03 0.00 -0.26 0.00 0.00 57.72 57.58 2cv4 n HIS 92 Cb 0.45 -0.86 -0.09 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.62 0.21 -1.85 1.59 5.41 0.31 -5.03 119.36 117.39 2cv4 n ILE 93 Ca -0.16 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2cv4 n ILE 93 Cb 0.86 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.76 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 1.98 0.49 2.81 7.39 0.00 -0.53 -5.01 105.19 112.32 2cv4 n GLY 94 Ca -0.07 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 0.05 -0.17 1.61 0.11 -1.25 -5.01 120.40 113.75 2cv4 s VAL 95 Ca 0.00 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 2cv4 s VAL 95 Cb 0.00 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2cv4 s VAL 95 CO 0.00 0.10 0.24 -0.60 -3.33 0.00 0.00 175.10 171.51 2cv4 s ARG 96 N 0.86 4.20 -0.41 1.54 3.52 -1.26 -3.33 118.95 124.07 2cv4 s ARG 96 Ca -0.08 -0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.23 2cv4 s ARG 96 Cb -0.11 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2cv4 s ARG 96 CO -0.02 0.29 1.16 0.42 -0.81 0.00 0.00 175.30 176.34 2cv4 s ILE 97 N 0.35 4.26 -0.10 4.11 1.09 -1.26 -4.93 121.20 124.71 2cv4 s ILE 97 Ca 0.14 1.35 0.25 0.00 -1.10 0.00 0.00 60.65 61.29 2cv4 s ILE 97 Cb -0.12 -4.48 0.29 0.00 -1.06 0.00 0.00 42.46 37.09 2cv4 s ILE 97 CO 0.02 -0.80 1.75 1.55 -0.10 0.00 0.00 174.94 177.37 2cv4 h PRO 98 N 9.05 0.00 -6.27 2.79 0.13 -1.96 -3.46 132.00 132.27 2cv4 h PRO 98 Ca -0.23 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.45 2cv4 h PRO 98 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2cv4 h PRO 98 CO 1.09 0.13 -0.38 -0.59 -0.23 0.00 0.00 178.00 178.02 2cv4 s PHE 99 N -3.42 3.14 0.69 1.56 -0.71 -1.26 -5.10 117.98 112.89 2cv4 s PHE 99 Ca 0.03 -0.19 -0.11 0.00 -1.04 0.00 0.00 56.93 55.62 2cv4 s PHE 99 Cb 0.08 -1.87 0.01 0.00 -1.21 0.00 0.00 43.02 40.03 2cv4 s PHE 99 CO 0.64 0.12 1.07 -1.25 -1.34 0.00 0.00 175.22 174.45 2cv4 s PRO 100 N -4.10 2.95 -0.07 1.99 0.04 -1.26 -4.93 135.00 129.63 2cv4 s PRO 100 Ca 0.42 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2cv4 s PRO 100 Cb -0.09 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2cv4 s PRO 100 CO 0.30 -1.02 0.00 0.42 0.04 0.00 0.00 177.00 176.74 2cv4 s ILE 101 N -3.19 0.36 0.44 0.56 1.01 -1.26 -1.05 121.20 118.08 2cv4 s ILE 101 Ca 0.58 0.12 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 2cv4 s ILE 101 Cb -0.12 -0.51 -0.08 0.00 0.01 0.00 0.00 42.46 41.76 2cv4 s ILE 101 CO 0.54 0.25 1.29 -0.63 0.00 0.00 0.00 174.94 176.38 2cv4 s ILE 102 N 1.87 2.60 -0.24 2.92 1.01 0.13 -1.62 121.20 127.86 2cv4 s ILE 102 Ca 0.03 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 2cv4 s ILE 102 Cb -0.12 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.09 2cv4 s ILE 102 CO -0.05 0.04 -0.09 0.00 0.00 0.00 0.00 174.94 174.85 2cv4 s ALA 103 N -1.33 2.64 -0.54 9.38 0.00 0.25 -2.68 121.76 129.47 2cv4 s ALA 103 Ca 0.61 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2cv4 s ALA 103 Cb -0.37 -1.61 0.32 0.00 0.00 0.00 0.00 23.12 21.47 2cv4 s ALA 103 CO 0.46 -0.78 0.84 -3.47 0.00 0.00 0.00 175.76 172.81 2cv4 n ASP 104 N 4.64 3.35 0.12 0.00 2.03 -0.51 -4.59 116.55 121.58 2cv4 n ASP 104 Ca -0.17 -3.44 0.17 0.00 0.52 0.00 0.00 54.79 51.87 2cv4 n ASP 104 Cb 0.47 -0.60 0.54 0.00 -0.72 0.00 0.00 41.12 40.82 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 3.26 0.00 -0.00 -0.67 0.11 -1.66 -2.30 132.00 130.75 2cv4 h PRO 105 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2cv4 h PRO 105 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2cv4 h PRO 105 CO 0.74 0.00 -0.16 1.04 -0.21 0.00 0.00 178.00 179.41 2cv4 n GLN 106 N -3.15 2.99 -0.52 1.05 1.13 -1.26 -4.95 117.38 112.67 2cv4 n GLN 106 Ca 0.08 -0.36 0.00 0.00 -1.94 0.00 0.00 57.00 54.78 2cv4 n GLN 106 Cb 0.87 -0.91 0.00 0.00 0.11 0.00 0.00 30.24 30.30 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 0.82 0.76 0.26 1.08 0.00 -0.86 -4.95 105.19 102.29 2cv4 n GLY 107 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.42 -0.30 2.61 2.02 -1.94 1.73 112.91 117.45 2cv4 h THR 108 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2cv4 h THR 108 Cb 0.00 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2cv4 h THR 108 CO 0.00 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 176.08 2cv4 h VAL 109 N -0.21 1.29 -0.47 3.16 2.07 -1.92 -1.77 116.25 118.41 2cv4 h VAL 109 Ca 0.15 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 2cv4 h VAL 109 Cb 0.44 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2cv4 h VAL 109 CO -0.40 0.51 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 2cv4 h ALA 110 N 0.70 0.63 -0.44 1.67 0.00 -1.77 -2.15 119.26 117.90 2cv4 h ALA 110 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2cv4 h ALA 110 Cb 0.98 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2cv4 h ALA 110 CO 0.09 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.88 2cv4 h ARG 111 N 0.71 0.75 -0.82 0.00 3.08 0.26 0.38 114.38 118.73 2cv4 h ARG 111 Ca 0.13 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 60.07 2cv4 h ARG 111 Cb 0.58 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 2cv4 h ARG 111 CO 0.03 0.79 0.53 -0.09 -1.07 0.00 0.00 179.97 180.16 2cv4 h ARG 112 N 0.61 0.70 -0.31 0.04 9.65 -1.19 -0.84 114.38 123.04 2cv4 h ARG 112 Ca 0.13 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2cv4 h ARG 112 Cb 0.41 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2cv4 h ARG 112 CO 0.01 0.46 0.00 1.28 2.80 0.00 0.00 179.97 184.53 2cv4 n LEU 113 N -4.52 2.85 -1.44 3.80 4.77 -0.82 -4.84 117.00 116.80 2cv4 n LEU 113 Ca 0.14 -1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 54.75 2cv4 n LEU 113 Cb 0.36 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2cv4 n LEU 113 CO 0.32 0.61 -0.17 0.61 -1.33 0.00 0.00 177.39 177.42 2cv4 n GLY 114 N 1.38 0.78 0.18 -0.72 0.00 -0.32 -4.38 105.19 102.12 2cv4 n GLY 114 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.96 0.54 -4.30 0.99 4.77 0.12 -4.55 117.00 112.61 2cv4 n LEU 115 Ca -0.17 -0.26 -0.45 0.00 -0.03 0.00 0.00 56.01 55.11 2cv4 n LEU 115 Cb 0.57 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2cv4 n LEU 115 CO 0.23 0.13 0.55 -0.22 -1.33 0.00 0.00 177.39 176.74 2cv4 s LEU 116 N -1.17 6.40 0.00 2.23 2.96 -1.25 -1.34 118.68 126.51 2cv4 s LEU 116 Ca 0.14 -3.17 0.00 0.00 -0.22 0.00 0.00 54.13 50.88 2cv4 s LEU 116 Cb 0.07 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2cv4 s LEU 116 CO 0.10 -0.41 0.00 1.41 -1.32 0.00 0.00 176.35 176.14 2cv4 n HIS 117 N 3.27 -2.74 -0.99 5.38 8.25 -1.26 -4.97 115.22 122.16 2cv4 n HIS 117 Ca 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.69 2cv4 n HIS 117 Cb 0.42 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.87 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 -3.00 3.80 1.02 -1.41 0.00 -1.26 -4.13 120.51 115.53 2cv4 n ALA 118 Ca 0.00 -2.18 0.13 0.00 0.00 0.00 0.00 53.44 51.39 2cv4 n ALA 118 Cb 0.00 -1.02 0.38 0.00 0.00 0.00 0.00 19.45 18.82 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 0.06 0.05 0.00 0.00 2.13 -1.26 -4.82 120.64 116.80 2cv4 n GLU 119 Ca 0.29 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2cv4 n GLU 119 Cb 1.15 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.36 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 -1.45 0.00 -4.55 4.31 7.64 -1.26 -5.14 113.62 113.17 2cv4 n SER 120 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 2cv4 n SER 120 Cb 0.33 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.48 -1.18 -0.43 0.00 -1.26 -4.52 120.51 111.63 2cv4 n ALA 121 Ca 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.06 2cv4 n ALA 121 Cb 0.00 -2.01 -0.06 0.00 0.00 0.00 0.00 19.45 17.38 2cv4 n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cv4 n THR 122 N -3.63 -0.50 -2.12 0.00 -2.24 -1.26 -4.97 114.28 99.56 2cv4 n THR 122 Ca 0.10 0.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.48 2cv4 n THR 122 Cb 0.52 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2cv4 n THR 122 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2cv4 n HIS 123 N -3.88 -4.89 -1.69 4.78 -0.00 -1.26 -4.96 115.22 103.32 2cv4 n HIS 123 Ca -0.06 2.95 -0.32 0.00 -0.00 0.00 0.00 57.72 60.29 2cv4 n HIS 123 Cb 0.53 -3.59 0.04 0.00 -0.00 0.00 0.00 29.99 26.97 2cv4 n HIS 123 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2cv4 s THR 124 N -0.51 3.86 0.87 1.59 2.01 -1.26 -4.79 115.64 117.41 2cv4 s THR 124 Ca 0.00 0.69 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 2cv4 s THR 124 Cb 0.00 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.30 2cv4 s THR 124 CO 0.00 -0.70 1.11 0.68 -0.69 0.00 0.00 174.62 175.02 2cv4 s VAL 125 N -2.83 2.54 -1.44 3.82 -7.23 -0.45 -3.14 120.40 111.67 2cv4 s VAL 125 Ca 0.60 0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 2cv4 s VAL 125 Cb -0.15 -2.85 -0.11 0.00 0.56 0.00 0.00 36.38 33.83 2cv4 s VAL 125 CO 0.49 -0.23 3.00 0.54 -0.31 0.00 0.00 175.10 178.59 2cv4 n ARG 126 N -3.70 3.48 -2.45 4.82 1.74 -1.24 -4.07 116.66 115.24 2cv4 n ARG 126 Ca 0.07 -2.05 -0.33 0.00 -0.77 0.00 0.00 57.85 54.76 2cv4 n ARG 126 Cb 0.57 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 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 2.19 2.37 -0.08 -0.13 0.00 -1.25 -2.55 107.32 107.87 2cv4 s GLY 127 Ca 0.69 0.50 -0.03 0.00 0.00 0.00 0.00 44.72 45.87 2cv4 s GLY 127 CO -0.05 0.81 0.10 0.14 0.00 0.00 0.00 173.10 174.10 2cv4 s VAL 128 N -2.17 -0.16 -0.12 1.40 1.01 0.13 -0.97 120.40 119.53 2cv4 s VAL 128 Ca 0.65 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2cv4 s VAL 128 Cb -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2cv4 s VAL 128 CO 0.24 0.07 -0.06 -0.36 0.00 0.00 0.00 175.10 174.99 2cv4 s PHE 129 N 2.21 2.96 -0.19 5.22 0.40 0.21 -1.16 117.98 127.63 2cv4 s PHE 129 Ca 0.04 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 2cv4 s PHE 129 Cb -0.13 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 2cv4 s PHE 129 CO -0.05 0.08 -0.06 0.42 0.70 0.00 0.00 175.22 176.30 2cv4 s ILE 130 N -0.09 3.33 -0.08 0.64 1.01 -0.25 -1.76 121.20 124.00 2cv4 s ILE 130 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2cv4 s ILE 130 Cb -0.13 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 2cv4 s ILE 130 CO 0.03 0.45 -0.23 -0.69 0.00 0.00 0.00 174.94 174.51 2cv4 s VAL 131 N 1.12 1.91 0.80 2.92 1.01 -0.63 -0.42 120.40 127.12 2cv4 s VAL 131 Ca 0.01 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2cv4 s VAL 131 Cb -0.15 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.71 2cv4 s VAL 131 CO -0.01 0.53 1.12 1.51 0.00 0.00 0.00 175.10 178.25 2cv4 s ASP 132 N 0.20 4.12 0.00 3.32 1.47 -0.02 -1.73 116.67 124.03 2cv4 s ASP 132 Ca -0.13 0.22 0.03 0.00 1.18 0.00 0.00 52.55 53.86 2cv4 s ASP 132 Cb -0.16 -0.59 0.17 0.00 -0.34 0.00 0.00 42.92 42.00 2cv4 s ASP 132 CO 0.06 -2.05 0.92 0.00 0.68 0.00 0.00 175.17 174.78 2cv4 n ALA 133 N -3.20 1.37 0.83 2.11 0.00 -1.26 0.31 120.51 120.66 2cv4 n ALA 133 Ca 0.12 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2cv4 n ALA 133 Cb 0.60 -1.06 0.16 0.00 0.00 0.00 0.00 19.45 19.16 2cv4 n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cv4 n ARG 134 N -1.27 2.34 -0.89 0.00 1.74 -1.26 -4.62 116.66 112.69 2cv4 n ARG 134 Ca 0.02 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.13 2cv4 n ARG 134 Cb 0.03 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2cv4 n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cv4 n GLY 135 N 1.38 0.47 3.61 -0.13 0.00 0.15 -4.97 105.19 105.70 2cv4 n GLY 135 Ca 0.16 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 4.84 -0.12 1.61 1.01 -1.25 0.49 120.40 124.98 2cv4 s VAL 136 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2cv4 s VAL 136 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2cv4 s VAL 136 CO 0.00 0.42 1.57 -0.63 0.00 0.00 0.00 175.10 176.46 2cv4 s ILE 137 N 0.71 3.74 -0.32 2.22 1.01 -0.42 -0.84 121.20 127.31 2cv4 s ILE 137 Ca 0.04 0.88 0.13 0.00 0.00 0.00 0.00 60.65 61.71 2cv4 s ILE 137 Cb -0.13 -3.62 -0.18 0.00 0.01 0.00 0.00 42.46 38.54 2cv4 s ILE 137 CO 0.02 -0.13 0.43 0.54 0.00 0.00 0.00 174.94 175.79 2cv4 n ARG 138 N 7.18 1.50 -2.42 2.79 5.12 0.45 -0.71 116.66 130.56 2cv4 n ARG 138 Ca 0.17 -0.06 -0.03 0.00 -1.93 0.00 0.00 57.85 56.00 2cv4 n ARG 138 Cb 0.44 -1.23 0.01 0.00 -1.16 0.00 0.00 32.46 30.52 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 -1.65 0.00 -3.65 0.55 -1.04 -1.20 -4.93 114.28 102.37 2cv4 n THR 139 Ca -0.00 -0.37 -0.03 0.00 -2.04 0.00 0.00 64.05 61.61 2cv4 n THR 139 Cb 0.28 0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.19 -0.40 -4.42 1.43 -0.31 -1.09 118.68 113.70 2cv4 s LEU 141 Ca 0.09 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2cv4 s LEU 141 Cb -0.02 1.35 0.12 0.00 0.03 0.00 0.00 46.19 47.67 2cv4 s LEU 141 CO 0.04 -0.06 0.17 -0.31 0.23 0.00 0.00 176.35 176.43 2cv4 s TYR 142 N 0.42 2.25 0.61 0.29 2.02 -1.26 -0.69 117.35 120.99 2cv4 s TYR 142 Ca 0.02 -2.38 -0.05 0.00 -0.37 0.00 0.00 57.07 54.29 2cv4 s TYR 142 Cb -0.04 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2cv4 s TYR 142 CO -0.12 -0.83 0.90 0.71 -1.57 0.00 0.00 175.55 174.64 2cv4 s TYR 143 N 0.73 3.09 0.00 2.71 4.12 -1.06 -4.99 117.35 121.95 2cv4 s TYR 143 Ca 0.14 0.45 0.00 0.00 0.02 0.00 0.00 57.07 57.69 2cv4 s TYR 143 Cb -0.22 -2.84 0.00 0.00 -1.52 0.00 0.00 41.96 37.38 2cv4 s TYR 143 CO -0.08 -0.97 0.00 -0.35 0.02 0.00 0.00 175.55 174.17 2cv4 n PRO 144 N -2.61 0.00 0.00 -1.71 -0.04 -1.26 -3.70 135.00 125.68 2cv4 n PRO 144 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2cv4 n PRO 144 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -3.99 0.54 0.00 -1.26 -4.64 120.64 111.29 2cv4 n GLU 146 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 2cv4 n GLU 146 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 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 3.78 0.50 -1.84 1.98 -1.26 -5.08 118.68 116.76 2cv4 s LEU 147 Ca 0.00 -1.43 -0.23 0.00 -2.89 0.00 0.00 54.13 49.59 2cv4 s LEU 147 Cb 0.00 -1.63 -0.06 0.00 0.66 0.00 0.00 46.19 45.16 2cv4 s LEU 147 CO 0.00 -0.24 1.31 -0.83 -1.89 0.00 0.00 176.35 174.70 2cv4 s GLY 148 N 1.17 2.87 0.87 7.98 0.00 -1.26 -4.92 107.32 114.03 2cv4 s GLY 148 Ca -0.06 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.78 2cv4 s GLY 148 CO -0.04 1.75 1.09 0.50 0.00 0.00 0.00 173.10 176.41 2cv4 s ARG 149 N -2.75 1.44 -0.46 2.90 0.52 -1.26 -5.00 118.95 114.34 2cv4 s ARG 149 Ca 0.67 0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 56.58 2cv4 s ARG 149 Cb -0.37 -1.83 0.11 0.00 0.52 0.00 0.00 34.95 33.38 2cv4 s ARG 149 CO 0.45 -2.11 0.32 -1.17 0.02 0.00 0.00 175.30 172.82 2cv4 s LEU 150 N -6.12 5.58 0.35 2.53 0.20 -1.26 -4.96 118.68 115.00 2cv4 s LEU 150 Ca 0.63 -1.87 0.08 0.00 0.69 0.00 0.00 54.13 53.66 2cv4 s LEU 150 Cb -0.17 -1.99 0.66 0.00 -0.43 0.00 0.00 46.19 44.25 2cv4 s LEU 150 CO 0.56 -0.66 1.83 0.58 -0.29 0.00 0.00 176.35 178.38 2cv4 h VAL 151 N 6.15 1.23 -0.15 1.68 2.07 -1.97 -2.13 116.25 123.12 2cv4 h VAL 151 Ca -0.21 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2cv4 h VAL 151 Cb 1.07 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2cv4 h VAL 151 CO 0.83 0.32 0.07 0.44 0.02 0.00 0.00 177.57 179.25 2cv4 h ASP 152 N 0.22 0.18 0.62 0.57 3.32 -1.92 -1.07 116.42 118.34 2cv4 h ASP 152 Ca 0.04 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2cv4 h ASP 152 Cb 0.54 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2cv4 h ASP 152 CO 0.04 0.17 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.22 2cv4 h GLU 153 N 0.21 0.00 -0.21 3.56 4.57 -1.75 -2.05 114.58 118.91 2cv4 h GLU 153 Ca 0.06 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 2cv4 h GLU 153 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2cv4 h GLU 153 CO -0.01 0.43 -0.30 0.82 -1.18 0.00 0.00 179.01 178.77 2cv4 h ILE 154 N 0.00 1.27 -0.25 2.32 2.04 -1.22 -1.47 117.51 120.20 2cv4 h ILE 154 Ca -0.00 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.46 2cv4 h ILE 154 Cb 0.85 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2cv4 h ILE 154 CO 0.06 0.41 -0.14 -0.07 0.00 0.00 0.00 178.15 178.41 2cv4 h LEU 155 N 0.36 0.55 -0.58 1.44 3.38 -1.19 -2.06 115.31 117.20 2cv4 h LEU 155 Ca 0.05 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2cv4 h LEU 155 Cb 0.70 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2cv4 h LEU 155 CO 0.05 0.85 0.34 -0.09 0.09 0.00 0.00 178.44 179.69 2cv4 h ARG 156 N 0.25 0.65 -0.35 1.13 2.43 -1.28 0.21 114.38 117.42 2cv4 h ARG 156 Ca 0.05 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2cv4 h ARG 156 Cb 0.66 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2cv4 h ARG 156 CO 0.04 0.43 0.21 0.82 -1.51 0.00 0.00 179.97 179.96 2cv4 h ILE 157 N 0.67 1.04 -0.30 1.20 2.04 -1.05 0.24 117.51 121.36 2cv4 h ILE 157 Ca 0.24 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 2cv4 h ILE 157 Cb 0.05 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2cv4 h ILE 157 CO -0.12 0.08 -0.16 0.58 0.00 0.00 0.00 178.15 178.53 2cv4 h VAL 158 N 0.42 1.29 0.35 1.67 2.07 -0.82 -1.09 116.25 120.15 2cv4 h VAL 158 Ca 0.14 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2cv4 h VAL 158 Cb 0.00 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2cv4 h VAL 158 CO -0.06 0.40 -0.26 0.50 0.02 0.00 0.00 177.57 178.17 2cv4 h LYS 159 N 0.39 -0.59 -0.56 1.57 1.63 -0.25 -1.56 116.57 117.20 2cv4 h LYS 159 Ca 0.07 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2cv4 h LYS 159 Cb 0.68 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 2cv4 h LYS 159 CO 0.05 -0.39 0.24 0.00 -3.45 0.00 0.00 179.45 175.89 2cv4 h ALA 160 N -0.03 1.36 -0.53 5.00 0.00 -0.53 -1.84 119.26 122.69 2cv4 h ALA 160 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2cv4 h ALA 160 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2cv4 h ALA 160 CO 0.00 0.48 0.04 1.25 0.00 0.00 0.00 179.25 181.03 2cv4 h LEU 161 N 0.80 0.84 -0.26 0.00 5.85 -0.99 0.11 115.31 121.66 2cv4 h LEU 161 Ca 0.19 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2cv4 h LEU 161 Cb 0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2cv4 h LEU 161 CO -0.02 0.88 -0.08 0.11 -0.34 0.00 0.00 178.44 178.99 2cv4 h LYS 162 N 0.82 0.51 -0.24 1.25 1.57 -0.91 -0.47 116.57 119.10 2cv4 h LYS 162 Ca 0.16 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2cv4 h LYS 162 Cb 0.43 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2cv4 h LYS 162 CO 0.02 0.73 0.09 -0.07 -0.57 0.00 0.00 179.45 179.65 2cv4 h LEU 163 N 0.25 0.10 -0.87 2.94 3.38 -1.07 -0.24 115.31 119.79 2cv4 h LEU 163 Ca 0.06 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2cv4 h LEU 163 Cb 0.55 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2cv4 h LEU 163 CO 0.03 0.09 0.57 1.23 0.09 0.00 0.00 178.44 180.45 2cv4 h GLY 164 N 0.20 1.25 1.06 0.83 0.00 -0.67 0.71 103.07 106.44 2cv4 h GLY 164 Ca 0.11 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 2cv4 h GLY 164 CO -0.11 0.41 0.01 -0.55 0.00 0.00 0.00 176.54 176.30 2cv4 h ASP 165 N 1.15 0.99 -0.02 0.19 3.32 -0.42 0.76 116.42 122.39 2cv4 h ASP 165 Ca 0.33 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 2cv4 h ASP 165 Cb -0.07 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.22 2cv4 h ASP 165 CO -0.09 1.05 -0.58 0.77 -1.72 0.00 0.00 179.24 178.67 2cv4 h SER 166 N 0.90 0.54 0.15 6.45 4.64 -0.59 -3.17 113.55 122.47 2cv4 h SER 166 Ca 0.16 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2cv4 h SER 166 Cb 0.54 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2cv4 h SER 166 CO 0.03 1.20 -0.03 0.18 -0.87 0.00 0.00 176.83 177.34 2cv4 n LEU 167 N -4.23 0.47 -3.57 5.97 4.77 0.20 -4.95 117.00 115.66 2cv4 n LEU 167 Ca -0.10 -0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 2cv4 n LEU 167 Cb 0.66 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 2cv4 n LEU 167 CO 0.46 0.08 -0.03 0.29 -1.33 0.00 0.00 177.39 176.86 2cv4 n LYS 168 N -0.75 -1.34 -3.94 3.23 5.02 0.16 -5.01 118.16 115.53 2cv4 n LYS 168 Ca 0.19 0.87 -0.08 0.00 -2.02 0.00 0.00 58.31 57.27 2cv4 n LYS 168 Cb 0.22 -3.71 -0.08 0.00 -0.02 0.00 0.00 35.03 31.44 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 -4.73 0.73 0.16 1.97 1.81 -0.60 -4.68 118.95 113.60 2cv4 s ARG 169 Ca 0.13 -1.00 0.03 0.00 -1.72 0.00 0.00 55.73 53.17 2cv4 s ARG 169 Cb -0.05 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.70 2cv4 s ARG 169 CO 0.85 -0.20 0.27 0.00 -0.68 0.00 0.00 175.30 175.54 2cv4 s ALA 170 N -3.66 3.92 -0.18 2.13 0.00 0.49 -4.44 121.76 120.02 2cv4 s ALA 170 Ca 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 2cv4 s ALA 170 Cb 0.05 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2cv4 s ALA 170 CO -0.10 0.51 -0.03 0.08 0.00 0.00 0.00 175.76 176.22 2cv4 s VAL 171 N -1.77 3.83 0.65 0.00 1.01 -1.26 -0.89 120.40 121.97 2cv4 s VAL 171 Ca 0.34 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2cv4 s VAL 171 Cb -0.11 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 2cv4 s VAL 171 CO 0.28 0.47 1.12 -2.16 0.00 0.00 0.00 175.10 174.80 2cv4 s PRO 172 N 0.68 2.82 0.56 2.72 0.04 -1.26 -4.94 135.00 135.63 2cv4 s PRO 172 Ca -0.02 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 2cv4 s PRO 172 Cb -0.14 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2cv4 s PRO 172 CO 0.02 -1.24 0.66 0.00 0.04 0.00 0.00 177.00 176.48 2cv4 n ALA 173 N -2.33 -0.77 -0.99 8.56 0.00 -1.26 -1.52 120.51 122.19 2cv4 n ALA 173 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2cv4 n ALA 173 Cb 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2cv4 n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2cv4 n ASP 174 N 0.21 -5.89 -4.65 0.00 8.00 -1.26 -4.09 116.55 108.87 2cv4 n ASP 174 Ca 0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2cv4 n ASP 174 Cb 0.47 -3.46 0.01 0.00 -0.02 0.00 0.00 41.12 38.11 2cv4 n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2cv4 n TRP 175 N -2.01 1.65 -0.19 1.24 -0.00 -0.58 -0.47 117.44 117.08 2cv4 n TRP 175 Ca 0.00 0.56 -0.13 0.00 -0.00 0.00 0.00 57.50 57.93 2cv4 n TRP 175 Cb 0.49 -2.30 0.10 0.00 -0.00 0.00 0.00 31.31 29.59 2cv4 n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2cv4 n PRO 176 N 0.23 1.69 -1.86 5.87 -0.04 -1.26 -4.93 135.00 134.69 2cv4 n PRO 176 Ca 0.08 -1.61 -0.12 0.00 -0.04 0.00 0.00 63.50 61.81 2cv4 n PRO 176 Cb 0.38 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.37 3.40 -4.77 3.54 3.02 0.38 -3.25 115.26 117.21 2cv4 n ASN 177 Ca 0.32 -3.34 -0.41 0.00 -0.03 0.00 0.00 54.58 51.12 2cv4 n ASN 177 Cb 1.13 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.89 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 -3.46 6.35 0.28 6.41 2.47 -0.91 -4.81 114.94 121.26 2cv4 s ASN 178 Ca 0.43 3.01 -0.01 0.00 0.42 0.00 0.00 52.86 56.71 2cv4 s ASN 178 Cb 0.38 -2.65 0.39 0.00 -1.45 0.00 0.00 41.25 37.93 2cv4 s ASN 178 CO -0.01 -0.90 1.81 -0.33 -3.72 0.00 0.00 177.10 173.95 2cv4 h GLU 179 N 3.90 0.80 0.00 0.43 5.08 -1.88 0.15 114.58 123.06 2cv4 h GLU 179 Ca -0.49 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 2cv4 h GLU 179 Cb 1.23 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2cv4 h GLU 179 CO 0.72 0.75 -0.15 0.82 -1.00 0.00 0.00 179.01 180.15 2cv4 h ILE 180 N 0.76 1.60 -0.07 3.13 2.04 -1.95 -3.40 117.51 119.61 2cv4 h ILE 180 Ca 0.16 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2cv4 h ILE 180 Cb 0.34 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 2cv4 h ILE 180 CO 0.01 0.54 0.00 2.30 0.00 0.00 0.00 178.15 181.00 2cv4 n ILE 181 N -4.60 1.46 0.00 -0.67 -5.35 -1.25 -5.09 119.36 103.86 2cv4 n ILE 181 Ca -0.12 -1.55 0.00 0.00 -0.27 0.00 0.00 62.75 60.81 2cv4 n ILE 181 Cb 0.48 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 -0.72 3.42 0.60 3.28 0.00 0.54 -1.18 105.19 111.14 2cv4 n GLY 182 Ca 0.10 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 10.80 1.83 -1.04 1.61 0.28 -1.20 -2.14 120.64 130.77 2cv4 n GLU 183 Ca 0.00 -1.21 -0.33 0.00 -0.16 0.00 0.00 57.16 55.46 2cv4 n GLU 183 Cb 0.00 -1.47 0.13 0.00 1.43 0.00 0.00 31.44 31.53 2cv4 n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2cv4 s GLY 184 N -1.98 2.01 0.04 -1.84 0.00 -0.33 -4.86 107.32 100.36 2cv4 s GLY 184 Ca 0.35 0.74 0.08 0.00 0.00 0.00 0.00 44.72 45.89 2cv4 s GLY 184 CO 0.32 1.15 -0.21 1.08 0.00 0.00 0.00 173.10 175.44 2cv4 s LEU 185 N -5.91 2.44 0.08 0.66 1.43 0.00 -4.58 118.68 112.80 2cv4 s LEU 185 Ca 0.71 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 2cv4 s LEU 185 Cb -0.26 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 2cv4 s LEU 185 CO 0.52 0.26 0.73 -0.63 0.23 0.00 0.00 176.35 177.46 2cv4 s ILE 186 N -0.87 4.65 -0.03 -0.59 1.01 -0.07 -1.93 121.20 123.37 2cv4 s ILE 186 Ca 0.13 1.56 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 2cv4 s ILE 186 Cb -0.10 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2cv4 s ILE 186 CO 0.04 0.44 0.88 -0.69 0.00 0.00 0.00 174.94 175.61 2cv4 s VAL 187 N -0.50 4.93 0.18 2.92 1.01 -0.11 -0.38 120.40 128.44 2cv4 s VAL 187 Ca 0.36 1.84 -0.33 0.00 0.00 0.00 0.00 61.98 63.84 2cv4 s VAL 187 Cb -0.21 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 2cv4 s VAL 187 CO 0.23 0.18 1.47 -2.65 0.00 0.00 0.00 175.10 174.32 2cv4 n PRO 188 N 3.95 1.95 -1.71 2.72 -0.02 -1.26 -4.61 135.00 136.03 2cv4 n PRO 188 Ca 0.04 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2cv4 n PRO 188 Cb 0.51 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2cv4 n PRO 188 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2cv4 n PRO 189 N 2.70 2.05 -1.98 0.52 -0.02 -1.26 -4.96 135.00 132.05 2cv4 n PRO 189 Ca 0.15 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.95 2cv4 n PRO 189 Cb 0.29 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2cv4 n PRO 189 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2cv4 s PRO 190 N -2.14 4.06 -0.03 0.52 0.02 -1.26 -4.93 135.00 131.24 2cv4 s PRO 190 Ca 0.59 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.98 2cv4 s PRO 190 Cb -0.51 -2.87 0.17 0.00 0.02 0.00 0.00 34.50 31.30 2cv4 s PRO 190 CO 0.59 -0.47 1.13 0.25 -0.33 0.00 0.00 177.00 178.17 2cv4 n THR 191 N 0.33 1.21 -4.01 0.99 -2.24 -1.26 -4.88 114.28 104.43 2cv4 n THR 191 Ca 0.02 -1.23 -0.08 0.00 -2.27 0.00 0.00 64.05 60.49 2cv4 n THR 191 Cb 0.42 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.38 0.17 0.12 4.28 -4.23 -1.26 -5.05 115.64 108.29 2cv4 s THR 192 Ca 0.14 -1.39 -0.20 0.00 -1.18 0.00 0.00 61.69 59.07 2cv4 s THR 192 Cb 0.10 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.84 2cv4 s THR 192 CO 0.06 -0.77 1.73 -0.08 -0.54 0.00 0.00 174.62 175.02 2cv4 h GLU 193 N 3.62 0.07 -0.99 3.99 4.81 -1.99 0.21 114.58 124.30 2cv4 h GLU 193 Ca -0.33 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2cv4 h GLU 193 Cb 1.17 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2cv4 h GLU 193 CO 0.56 0.05 0.66 -0.44 -0.73 0.00 0.00 179.01 179.10 2cv4 h ASP 194 N 0.07 1.14 -0.21 1.04 3.32 -1.99 -0.87 116.42 118.92 2cv4 h ASP 194 Ca 0.08 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 2cv4 h ASP 194 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2cv4 h ASP 194 CO -0.14 0.82 -0.32 1.56 -1.72 0.00 0.00 179.24 179.44 2cv4 h GLN 195 N 1.34 0.71 -0.51 3.56 4.20 -1.85 -1.16 115.11 121.41 2cv4 h GLN 195 Ca 0.37 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2cv4 h GLN 195 Cb -0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2cv4 h GLN 195 CO -0.08 0.94 0.21 0.00 -0.67 0.00 0.00 178.83 179.22 2cv4 h ALA 196 N 1.04 1.41 -0.14 3.87 0.00 -0.04 -1.88 119.26 123.51 2cv4 h ALA 196 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2cv4 h ALA 196 Cb 0.84 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cv4 h ALA 196 CO 0.07 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.57 2cv4 h ARG 197 N 0.73 0.38 0.00 0.00 3.08 -0.73 -2.78 114.38 115.06 2cv4 h ARG 197 Ca 0.18 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2cv4 h ARG 197 Cb 0.14 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2cv4 h ARG 197 CO -0.02 0.81 -0.01 0.00 -1.07 0.00 0.00 179.97 179.69 2cv4 h ALA 198 N 0.57 1.33 -0.17 0.04 0.00 -1.04 -2.69 119.26 117.30 2cv4 h ALA 198 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2cv4 h ALA 198 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2cv4 h ALA 198 CO 0.05 0.01 0.13 -2.13 0.00 0.00 0.00 179.25 177.31 2cv4 n ARG 199 N -3.57 1.26 -3.40 0.00 3.00 -0.72 -4.44 116.66 108.77 2cv4 n ARG 199 Ca -0.03 -0.54 -0.16 0.00 -0.00 0.00 0.00 57.85 57.12 2cv4 n ARG 199 Cb 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.34 2cv4 n ARG 199 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2cv4 n GLU 201 N 0.72 -0.71 0.00 -0.14 4.71 -1.02 -4.93 120.64 119.27 2cv4 n GLU 201 Ca 0.11 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2cv4 n GLU 201 Cb 0.60 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 30.10 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2cv4 n SER 202 N -0.86 0.00 -2.21 1.62 2.88 -1.26 -4.94 113.62 108.86 2cv4 n SER 202 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2cv4 n SER 202 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.40 0.00 0.00 0.46 0.00 -1.26 -3.66 105.19 99.33 2cv4 n GLY 203 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.94 0.00 -3.80 1.61 1.13 -1.26 -5.05 117.38 110.94 2cv4 n GLN 204 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 2cv4 n GLN 204 Cb 0.00 -0.08 -0.17 0.00 0.11 0.00 0.00 30.24 30.11 2cv4 n GLN 204 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2cv4 s TYR 205 N 0.00 1.19 0.00 1.08 1.51 -1.24 -5.10 117.35 114.79 2cv4 s TYR 205 Ca 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 2cv4 s TYR 205 Cb 0.00 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 2cv4 s TYR 205 CO 0.00 -0.54 0.00 0.54 -1.11 0.00 0.00 175.55 174.44 2cv4 n ARG 206 N 5.01 0.00 -4.02 -0.62 5.12 -1.23 -3.99 116.66 116.92 2cv4 n ARG 206 Ca -0.10 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.68 2cv4 n ARG 206 Cb 0.48 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.64 2cv4 n ARG 206 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cv4 n LEU 208 N 3.15 0.34 -3.72 0.00 4.77 0.00 -4.99 117.00 116.55 2cv4 n LEU 208 Ca -0.14 0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2cv4 n LEU 208 Cb 0.58 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2cv4 n LEU 208 CO 0.25 0.06 0.76 -0.62 -1.33 0.00 0.00 177.39 176.51 2cv4 s ASP 209 N -5.08 -0.17 0.57 -1.43 -1.08 -1.24 -4.97 116.67 103.27 2cv4 s ASP 209 Ca -0.06 -0.35 0.38 0.00 -0.52 0.00 0.00 52.55 52.01 2cv4 s ASP 209 Cb 0.11 0.44 2.09 0.00 -1.46 0.00 0.00 42.92 44.10 2cv4 s ASP 209 CO 0.85 -0.81 2.18 4.11 0.52 0.00 0.00 175.17 182.02 2cv4 h TRP 210 N 2.00 0.00 -0.06 -5.34 5.08 -1.94 -1.24 115.95 114.45 2cv4 h TRP 210 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 2cv4 h TRP 210 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 2cv4 h TRP 210 CO 0.37 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.86 2cv4 n TRP 211 N -2.85 0.04 -3.62 0.12 4.27 -1.26 -4.46 117.44 109.68 2cv4 n TRP 211 Ca -0.03 -0.02 -0.28 0.00 -3.89 0.00 0.00 57.50 53.28 2cv4 n TRP 211 Cb 0.06 -0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.90 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 -1.78 2.20 0.14 -2.67 2.19 -0.47 -4.60 117.98 112.99 2cv4 s PHE 212 Ca 0.27 -2.77 0.11 0.00 0.33 0.00 0.00 56.93 54.86 2cv4 s PHE 212 Cb 0.19 -1.73 -0.04 0.00 -1.31 0.00 0.00 43.02 40.13 2cv4 s PHE 212 CO 0.28 -0.70 -0.25 0.00 1.83 0.00 0.00 175.22 176.37 2cv4 s TRP 214 N -1.25 -0.02 0.01 0.00 1.48 -0.00 -0.94 118.94 118.22 2cv4 s TRP 214 Ca 0.15 -0.32 0.00 0.00 -1.06 0.00 0.00 56.10 54.87 2cv4 s TRP 214 Cb -0.09 0.30 -0.00 0.00 -1.16 0.00 0.00 33.47 32.51 2cv4 s TRP 214 CO 0.07 -0.86 0.01 -0.40 -4.06 0.00 0.00 176.95 171.71 2cv4 n ASP 215 N -0.31 -0.03 -3.29 -2.66 5.68 -0.81 -3.51 116.55 111.62 2cv4 n ASP 215 Ca -0.10 -1.07 -0.25 0.00 -0.50 0.00 0.00 54.79 52.87 2cv4 n ASP 215 Cb 0.63 0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.02 1.06 1.07 2.12 -2.24 -1.26 -0.82 114.28 114.19 2cv4 n THR 216 Ca 0.00 -4.73 0.14 0.00 -2.27 0.00 0.00 64.05 57.19 2cv4 n THR 216 Cb 0.02 -1.92 0.61 0.00 -2.10 0.00 0.00 70.33 66.94 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 0.99 0.08 -2.59 -0.78 -0.04 -1.26 -4.84 135.00 126.56 2cv4 n PRO 217 Ca 0.26 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.31 2cv4 n PRO 217 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.92 3.37 0.79 0.55 0.00 -1.26 -5.02 121.76 117.27 2cv4 s ALA 218 Ca 0.16 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 2cv4 s ALA 218 Cb 0.19 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 20.09 2cv4 s ALA 218 CO 0.53 -0.03 1.09 -1.54 0.00 0.00 0.00 175.76 175.80 2cv4 s SER 219 N -0.77 4.45 0.17 0.00 1.04 -1.26 -4.85 113.70 112.48 2cv4 s SER 219 Ca 0.44 1.56 -0.15 0.00 0.48 0.00 0.00 55.95 58.29 2cv4 s SER 219 Cb -0.29 -2.31 0.08 0.00 0.10 0.00 0.00 66.02 63.60 2cv4 s SER 219 CO 0.36 -2.03 1.80 -0.09 0.98 0.00 0.00 173.24 174.26 2cv4 h ARG 220 N -1.13 0.51 -0.74 4.02 2.43 -1.98 -1.78 114.38 115.71 2cv4 h ARG 220 Ca -0.46 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 2cv4 h ARG 220 Cb 1.25 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2cv4 h ARG 220 CO 0.55 0.34 0.32 -0.44 -1.51 0.00 0.00 179.97 179.24 2cv4 h ASP 221 N 0.53 1.00 -0.30 -3.80 3.32 -1.99 -0.32 116.42 114.87 2cv4 h ASP 221 Ca 0.19 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2cv4 h ASP 221 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2cv4 h ASP 221 CO -0.10 0.88 0.18 0.44 -1.72 0.00 0.00 179.24 178.93 2cv4 h ASP 222 N 1.06 0.35 -0.61 6.45 3.32 -1.84 -1.63 116.42 123.52 2cv4 h ASP 222 Ca 0.25 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2cv4 h ASP 222 Cb 0.17 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2cv4 h ASP 222 CO -0.03 0.29 0.25 0.58 -1.72 0.00 0.00 179.24 178.62 2cv4 h VAL 223 N 0.38 1.23 -0.49 -1.35 2.07 -1.00 -2.15 116.25 114.94 2cv4 h VAL 223 Ca 0.11 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2cv4 h VAL 223 Cb 0.00 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2cv4 h VAL 223 CO -0.02 0.28 0.11 -0.08 0.02 0.00 0.00 177.57 177.87 2cv4 h GLU 224 N 0.85 0.76 -0.01 1.57 4.22 -0.93 0.62 114.58 121.65 2cv4 h GLU 224 Ca 0.20 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 2cv4 h GLU 224 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2cv4 h GLU 224 CO -0.02 0.69 0.00 1.49 -2.18 0.00 0.00 179.01 179.00 2cv4 h GLU 225 N 0.73 0.02 -0.99 1.92 4.81 -1.00 0.22 114.58 120.29 2cv4 h GLU 225 Ca 0.16 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2cv4 h GLU 225 Cb 0.29 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2cv4 h GLU 225 CO 0.00 0.26 0.64 0.00 -0.73 0.00 0.00 179.01 179.18 2cv4 h ALA 226 N 0.76 1.33 0.00 2.92 0.00 -1.00 -1.16 119.26 122.12 2cv4 h ALA 226 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2cv4 h ALA 226 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2cv4 h ALA 226 CO 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 2cv4 h ARG 227 N 1.21 0.00 0.00 0.00 3.08 -0.46 -2.91 114.38 115.29 2cv4 h ARG 227 Ca 0.41 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.35 2cv4 h ARG 227 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2cv4 h ARG 227 CO -0.14 0.36 -0.52 0.00 -1.07 0.00 0.00 179.97 178.60 2cv4 h ARG 228 N 0.00 0.00 -0.42 0.04 3.08 0.70 -2.05 114.38 115.73 2cv4 h ARG 228 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2cv4 h ARG 228 Cb 0.81 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2cv4 h ARG 228 CO 0.05 0.52 0.21 1.88 -1.07 0.00 0.00 179.97 181.56 2cv4 h TYR 229 N 0.00 0.40 -0.51 3.04 0.05 -1.28 0.16 116.97 118.82 2cv4 h TYR 229 Ca -0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2cv4 h TYR 229 Cb 1.27 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2cv4 h TYR 229 CO 0.00 0.21 0.19 -0.07 -1.05 0.00 0.00 178.16 177.44 2cv4 h LEU 230 N 0.43 0.72 -0.81 3.88 4.07 -1.55 -0.94 115.31 121.11 2cv4 h LEU 230 Ca 0.18 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 57.98 2cv4 h LEU 230 Cb 0.07 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.57 2cv4 h LEU 230 CO -0.11 0.71 0.52 0.03 -1.08 0.00 0.00 178.44 178.51 2cv4 h ARG 231 N 0.69 0.99 -0.04 1.13 3.08 -0.98 -0.82 114.38 118.44 2cv4 h ARG 231 Ca 0.17 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2cv4 h ARG 231 Cb 0.23 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2cv4 h ARG 231 CO -0.01 0.65 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.41 2cv4 h ARG 232 N 1.02 -0.06 -0.62 0.04 2.43 -0.30 -0.09 114.38 116.80 2cv4 h ARG 232 Ca 0.32 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.61 2cv4 h ARG 232 Cb 0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2cv4 h ARG 232 CO -0.11 -0.04 0.42 0.00 -1.51 0.00 0.00 179.97 178.73 2cv4 h ALA 233 N 0.97 2.08 0.00 2.80 0.00 -0.68 -2.27 119.26 122.16 2cv4 h ALA 233 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2cv4 h ALA 233 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2cv4 h ALA 233 CO -0.08 -0.23 -0.69 0.00 0.00 0.00 0.00 179.25 178.26 2cv4 h ALA 234 N 1.69 0.55 -2.71 0.00 0.00 -0.16 -3.46 119.26 115.17 2cv4 h ALA 234 Ca 0.29 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.67 2cv4 h ALA 234 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2cv4 h ALA 234 CO -0.08 0.00 0.20 -2.00 0.00 0.00 0.00 179.25 177.37 2cv4 s GLU 235 N -3.19 4.58 -0.14 0.00 2.12 -0.14 -4.99 118.70 116.94 2cv4 s GLU 235 Ca 0.05 1.18 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 2cv4 s GLU 235 Cb 0.13 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 2cv4 s GLU 235 CO 0.73 0.49 1.22 0.21 -0.54 0.00 0.00 175.26 177.37 2cv4 s LYS 236 N -0.88 4.27 0.19 4.30 2.20 -1.26 -4.97 119.74 123.60 2cv4 s LYS 236 Ca 0.37 1.63 -0.33 0.00 -0.36 0.00 0.00 55.97 57.28 2cv4 s LYS 236 Cb -0.23 -3.69 -0.14 0.00 -1.51 0.00 0.00 37.83 32.26 2cv4 s LYS 236 CO 0.26 -0.62 1.44 -0.35 -0.36 0.00 0.00 175.35 175.72 2cv4 n PRO 237 N 6.18 1.91 -0.46 4.03 -0.04 -1.26 -4.92 135.00 140.44 2cv4 n PRO 237 Ca 0.13 0.68 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 2cv4 n PRO 237 Cb 0.45 -2.37 0.34 0.00 -0.04 0.00 0.00 33.50 31.89 2cv4 n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cv4 n ALA 238 N 2.47 2.62 0.07 0.55 0.00 -1.26 -4.70 120.51 120.26 2cv4 n ALA 238 Ca 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2cv4 n ALA 238 Cb 0.29 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2cv4 n ALA 238 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cv4 n LYS 239 N 1.50 0.00 -2.18 0.00 4.81 -1.26 -5.14 118.16 115.90 2cv4 n LYS 239 Ca 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.67 2cv4 n LYS 239 Cb 0.72 -0.15 -0.02 0.00 0.02 0.00 0.00 35.03 35.60 2cv4 n LYS 239 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2cv4 n LEU 240 N -3.17 -4.85 0.00 3.14 4.77 -1.26 -5.33 117.00 110.30 2cv4 n LEU 240 Ca 0.00 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 2cv4 n LEU 240 Cb 0.06 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2cv4 n LEU 240 CO 0.00 -2.27 0.23 0.18 -1.33 0.00 0.00 177.39 174.20