#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 -0.19 -0.07 -1.23 0.00 -1.26 -4.99 107.32 99.58 2cv4 s GLY 3 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.31 2cv4 s GLY 3 CO 0.00 0.40 -0.09 -1.35 0.00 0.00 0.00 173.10 172.07 2cv4 s SER 4 N -0.71 4.49 0.08 1.64 1.04 -1.26 -5.13 113.70 113.85 2cv4 s SER 4 Ca -0.08 -0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.04 2cv4 s SER 4 Cb -0.04 -1.14 0.06 0.00 0.10 0.00 0.00 66.02 64.99 2cv4 s SER 4 CO 0.03 0.34 0.55 -0.63 0.98 0.00 0.00 173.24 174.51 2cv4 s ILE 5 N -0.68 0.02 1.02 -1.02 1.09 -1.26 -3.65 121.20 116.72 2cv4 s ILE 5 Ca 0.10 -0.18 -0.12 0.00 -1.10 0.00 0.00 60.65 59.36 2cv4 s ILE 5 Cb -0.11 -1.01 0.21 0.00 -1.06 0.00 0.00 42.46 40.48 2cv4 s ILE 5 CO 0.01 -0.10 1.08 -2.84 -0.10 0.00 0.00 174.94 173.00 2cv4 s PRO 6 N -2.93 0.18 0.08 2.79 0.02 -1.26 -5.02 135.00 128.87 2cv4 s PRO 6 Ca -0.03 1.06 0.08 0.00 0.02 0.00 0.00 61.00 62.13 2cv4 s PRO 6 Cb -0.00 -1.67 -0.03 0.00 0.02 0.00 0.00 34.50 32.82 2cv4 s PRO 6 CO -0.06 -3.05 -0.20 -0.51 -0.33 0.00 0.00 177.00 172.85 2cv4 s LEU 7 N -6.80 2.25 0.19 -5.54 1.43 -1.26 -5.08 118.68 103.88 2cv4 s LEU 7 Ca 0.67 -0.63 -0.33 0.00 -1.03 0.00 0.00 54.13 52.81 2cv4 s LEU 7 Cb -0.23 -0.89 -0.13 0.00 0.03 0.00 0.00 46.19 44.97 2cv4 s LEU 7 CO 0.61 0.09 1.65 -0.38 0.23 0.00 0.00 176.35 178.54 2cv4 n ILE 8 N 1.35 0.05 0.00 -0.59 5.41 -1.26 -1.01 119.36 123.30 2cv4 n ILE 8 Ca -0.19 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2cv4 n ILE 8 Cb 0.53 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 3.63 2.46 3.85 7.39 0.00 -0.35 -5.03 105.19 117.15 2cv4 n GLY 9 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 1.66 0.33 1.61 2.02 -0.18 -4.75 118.70 119.20 2cv4 s GLU 10 Ca 0.00 0.20 -0.17 0.00 0.02 0.00 0.00 54.97 55.03 2cv4 s GLU 10 Cb 0.00 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 2cv4 s GLU 10 CO 0.00 -1.82 0.78 0.50 0.02 0.00 0.00 175.26 174.73 2cv4 s ARG 11 N -5.45 4.07 0.12 1.61 3.52 -1.26 -1.44 118.95 120.12 2cv4 s ARG 11 Ca 0.63 0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 56.69 2cv4 s ARG 11 Cb -0.13 -2.43 -0.08 0.00 -1.56 0.00 0.00 34.95 30.76 2cv4 s ARG 11 CO 0.51 0.14 1.36 0.12 -0.81 0.00 0.00 175.30 176.62 2cv4 s PHE 12 N -1.98 3.26 0.15 5.12 2.19 0.15 -4.81 117.98 122.07 2cv4 s PHE 12 Ca 0.55 1.02 -0.34 0.00 0.33 0.00 0.00 56.93 58.49 2cv4 s PHE 12 Cb -0.11 -3.65 -0.16 0.00 -1.31 0.00 0.00 43.02 37.80 2cv4 s PHE 12 CO 0.17 -2.21 1.25 -2.30 1.83 0.00 0.00 175.22 173.95 2cv4 n PRO 13 N 3.75 1.27 -2.27 10.12 -0.02 -1.26 -4.50 135.00 142.09 2cv4 n PRO 13 Ca 0.10 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 2cv4 n PRO 13 Cb 0.43 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2cv4 n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2cv4 s GLU 14 N -0.10 3.38 -0.05 -0.52 2.12 -1.26 -4.34 118.70 117.93 2cv4 s GLU 14 Ca 0.76 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.69 2cv4 s GLU 14 Cb -0.86 -2.01 0.02 0.00 0.26 0.00 0.00 34.13 31.54 2cv4 s GLU 14 CO 0.50 -0.82 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.12 2cv4 s GLU 16 N -3.31 1.07 0.07 4.30 2.02 -1.26 -4.98 118.70 116.60 2cv4 s GLU 16 Ca 0.72 -0.22 0.05 0.00 0.02 0.00 0.00 54.97 55.54 2cv4 s GLU 16 Cb -0.23 -0.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.99 2cv4 s GLU 16 CO 0.27 -0.01 -0.14 0.14 0.02 0.00 0.00 175.26 175.53 2cv4 s VAL 17 N 0.70 1.09 -0.10 2.63 -7.23 0.21 -4.96 120.40 112.75 2cv4 s VAL 17 Ca -0.11 -1.25 -0.18 0.00 -1.81 0.00 0.00 61.98 58.64 2cv4 s VAL 17 Cb -0.14 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2cv4 s VAL 17 CO 0.01 -0.19 0.47 -0.89 -0.31 0.00 0.00 175.10 174.19 2cv4 s THR 18 N -1.20 5.15 0.22 5.32 2.01 -1.26 -0.49 115.64 125.38 2cv4 s THR 18 Ca -0.02 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2cv4 s THR 18 Cb -0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2cv4 s THR 18 CO 0.02 0.37 0.10 0.42 -0.69 0.00 0.00 174.62 174.84 2cv4 s THR 19 N 0.34 0.28 0.31 -0.82 -4.23 0.26 -1.83 115.64 109.95 2cv4 s THR 19 Ca 0.26 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 58.94 2cv4 s THR 19 Cb -0.15 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.47 2cv4 s THR 19 CO 0.11 -0.05 1.33 0.47 -0.54 0.00 0.00 174.62 175.94 2cv4 n ASP 20 N -0.34 0.27 -0.77 3.99 9.92 -0.81 0.84 116.55 129.66 2cv4 n ASP 20 Ca 0.00 1.40 0.10 0.00 -0.53 0.00 0.00 54.79 55.77 2cv4 n ASP 20 Cb 0.66 -0.67 0.07 0.00 -0.64 0.00 0.00 41.12 40.54 2cv4 n ASP 20 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2cv4 n HIS 21 N -4.92 0.00 0.00 1.24 8.25 -1.26 -4.98 115.22 113.55 2cv4 n HIS 21 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2cv4 n HIS 21 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 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 1.17 0.49 3.77 -1.41 0.00 0.25 -5.04 105.19 104.41 2cv4 n GLY 22 Ca 0.11 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.64 4.45 0.03 1.61 1.01 -1.26 0.90 120.40 126.50 2cv4 s VAL 23 Ca 0.00 1.68 0.02 0.00 0.00 0.00 0.00 61.98 63.68 2cv4 s VAL 23 Cb 0.00 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2cv4 s VAL 23 CO 0.00 0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 2cv4 s ILE 24 N -0.92 0.44 -0.20 2.22 1.01 0.35 -4.94 121.20 119.17 2cv4 s ILE 24 Ca 0.36 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2cv4 s ILE 24 Cb -0.22 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2cv4 s ILE 24 CO 0.25 -0.26 0.06 -0.75 0.00 0.00 0.00 174.94 174.25 2cv4 s LYS 25 N -1.14 3.88 -0.04 2.79 2.20 -1.26 -0.62 119.74 125.54 2cv4 s LYS 25 Ca -0.07 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2cv4 s LYS 25 Cb -0.08 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2cv4 s LYS 25 CO 0.00 0.15 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.57 2cv4 s LEU 26 N 0.70 3.23 0.00 5.43 1.43 -1.26 -0.63 118.68 127.57 2cv4 s LEU 26 Ca 0.03 -0.04 0.25 0.00 -1.03 0.00 0.00 54.13 53.34 2cv4 s LEU 26 Cb -0.13 -1.76 0.76 0.00 0.03 0.00 0.00 46.19 45.08 2cv4 s LEU 26 CO 0.02 0.33 1.57 -0.81 0.23 0.00 0.00 176.35 177.70 2cv4 n PRO 27 N 1.96 1.88 -0.28 1.29 -0.04 -1.26 -4.09 135.00 134.46 2cv4 n PRO 27 Ca -0.17 -1.30 0.10 0.00 -0.04 0.00 0.00 63.50 62.09 2cv4 n PRO 27 Cb 0.53 -1.46 0.25 0.00 -0.04 0.00 0.00 33.50 32.78 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 2.96 0.03 -0.45 3.54 5.19 -1.94 -0.06 116.42 125.69 2cv4 h ASP 28 Ca 0.00 0.18 0.13 0.00 -0.62 0.00 0.00 57.03 56.72 2cv4 h ASP 28 Cb 0.64 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 2cv4 h ASP 28 CO 0.00 -0.10 0.42 -0.74 -3.12 0.00 0.00 179.24 175.70 2cv4 h HIS 29 N 0.25 0.00 0.00 4.55 2.76 -1.23 -0.57 115.15 120.91 2cv4 h HIS 29 Ca 0.50 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.33 2cv4 h HIS 29 Cb 0.96 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.85 2cv4 h HIS 29 CO -0.26 0.00 -2.29 0.66 -1.30 0.00 0.00 177.93 174.74 2cv4 n TYR 30 N -3.93 0.00 -0.36 5.26 4.01 -0.12 -4.17 117.16 117.85 2cv4 n TYR 30 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.82 2cv4 n TYR 30 Cb 0.61 -0.90 0.13 0.00 -0.31 0.00 0.00 39.34 38.87 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 0.00 1.18 0.00 -0.72 2.07 -0.94 0.59 116.25 118.43 2cv4 h VAL 31 Ca -0.51 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2cv4 h VAL 31 Cb 1.93 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2cv4 h VAL 31 CO -0.04 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.24 2cv4 n SER 32 N -4.45 0.39 -0.65 0.57 3.41 -0.25 -1.56 113.62 111.07 2cv4 n SER 32 Ca 0.13 0.60 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 2cv4 n SER 32 Cb 0.08 -0.68 0.09 0.00 -0.26 0.00 0.00 64.21 63.43 2cv4 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cv4 n GLN 33 N -1.94 1.37 -1.06 4.33 6.02 -0.20 -4.96 117.38 120.95 2cv4 n GLN 33 Ca 0.02 -1.54 -0.02 0.00 -0.01 0.00 0.00 57.00 55.46 2cv4 n GLN 33 Cb 0.19 -1.30 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 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 0.86 0.53 3.83 1.08 0.00 -0.60 -5.02 105.19 105.87 2cv4 n GLY 34 Ca 0.10 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.23 3.27 0.64 1.61 1.02 0.03 -4.78 119.74 120.29 2cv4 s LYS 35 Ca 0.00 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.58 2cv4 s LYS 35 Cb 0.00 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 2cv4 s LYS 35 CO 0.00 0.70 1.00 -1.58 -0.92 0.00 0.00 175.35 174.55 2cv4 s TRP 36 N -1.13 3.36 -0.00 3.18 0.52 -0.68 -4.08 118.94 120.11 2cv4 s TRP 36 Ca 0.20 0.92 -0.09 0.00 0.02 0.00 0.00 56.10 57.15 2cv4 s TRP 36 Cb -0.12 -2.85 0.01 0.00 -1.15 0.00 0.00 33.47 29.35 2cv4 s TRP 36 CO 0.10 -0.92 0.17 -0.59 0.02 0.00 0.00 176.95 175.73 2cv4 s PHE 37 N -3.16 -0.00 -0.17 -1.98 -0.71 -0.58 -0.60 117.98 110.78 2cv4 s PHE 37 Ca 0.55 -0.06 -0.00 0.00 -1.04 0.00 0.00 56.93 56.39 2cv4 s PHE 37 Cb -0.11 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 2cv4 s PHE 37 CO 0.49 -0.31 -0.15 0.08 -1.34 0.00 0.00 175.22 173.99 2cv4 s VAL 38 N -1.37 2.61 -0.20 -2.49 1.01 0.20 -1.57 120.40 118.59 2cv4 s VAL 38 Ca -0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2cv4 s VAL 38 Cb -0.07 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2cv4 s VAL 38 CO 0.02 0.51 -0.03 -0.22 0.00 0.00 0.00 175.10 175.38 2cv4 s LEU 39 N 0.98 3.03 0.08 3.92 0.20 -0.19 -0.37 118.68 126.33 2cv4 s LEU 39 Ca -0.02 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.56 2cv4 s LEU 39 Cb -0.15 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 2cv4 s LEU 39 CO -0.03 0.03 -0.19 0.72 -0.29 0.00 0.00 176.35 176.60 2cv4 s PHE 40 N 1.17 1.59 0.28 5.38 -0.12 -0.83 -0.13 117.98 125.32 2cv4 s PHE 40 Ca 0.02 -0.42 0.12 0.00 -0.05 0.00 0.00 56.93 56.60 2cv4 s PHE 40 Cb -0.14 -0.89 -0.05 0.00 -0.63 0.00 0.00 43.02 41.30 2cv4 s PHE 40 CO -0.00 0.14 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.59 2cv4 s SER 41 N -1.70 3.69 0.01 1.98 1.04 -0.07 -1.40 113.70 117.26 2cv4 s SER 41 Ca 0.04 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.51 2cv4 s SER 41 Cb -0.10 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.65 2cv4 s SER 41 CO 0.03 0.04 -0.09 -1.00 0.98 0.00 0.00 173.24 173.20 2cv4 s HIS 42 N -2.48 0.77 0.20 5.02 3.76 0.32 -4.13 115.29 118.75 2cv4 s HIS 42 Ca 0.30 -0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 54.89 2cv4 s HIS 42 Cb -0.05 -0.47 0.14 0.00 1.11 0.00 0.00 32.58 33.31 2cv4 s HIS 42 CO 0.15 -0.02 1.67 -1.00 -0.85 0.00 0.00 174.74 174.69 2cv4 h PRO 43 N 5.42 0.98 -1.51 8.40 0.13 -1.80 -3.35 132.00 140.28 2cv4 h PRO 43 Ca -0.33 -0.31 0.12 0.00 -0.87 0.00 0.00 66.00 64.62 2cv4 h PRO 43 Cb 1.19 -0.09 -0.23 0.00 0.13 0.00 0.00 31.00 32.00 2cv4 h PRO 43 CO 0.47 0.98 0.64 0.00 -0.23 0.00 0.00 178.00 179.85 2cv4 s ALA 44 N -4.97 -1.97 0.74 -0.56 0.00 -1.26 -4.02 121.76 109.72 2cv4 s ALA 44 Ca -0.11 1.61 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 2cv4 s ALA 44 Cb 0.14 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2cv4 s ALA 44 CO 0.85 -0.34 1.12 -0.51 0.00 0.00 0.00 175.76 176.88 2cv4 s ASP 45 N -1.24 4.47 -1.30 0.00 1.01 -1.26 -3.73 116.67 114.62 2cv4 s ASP 45 Ca 0.01 2.03 -0.07 0.00 0.71 0.00 0.00 52.55 55.23 2cv4 s ASP 45 Cb -0.01 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2cv4 s ASP 45 CO -0.01 -2.06 1.13 0.49 0.21 0.00 0.00 175.17 174.92 2cv4 n PHE 46 N -3.07 -2.69 -4.34 4.23 3.01 -1.26 -5.02 117.46 108.33 2cv4 n PHE 46 Ca 0.11 0.99 -0.20 0.00 1.01 0.00 0.00 57.45 59.35 2cv4 n PHE 46 Cb 0.52 -5.00 -0.13 0.00 -0.01 0.00 0.00 39.48 34.86 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 -3.32 1.19 0.05 4.37 -4.23 -1.24 -5.08 115.64 107.36 2cv4 s THR 47 Ca 0.44 -1.11 -0.25 0.00 -1.18 0.00 0.00 61.69 59.59 2cv4 s THR 47 Cb -0.19 -1.08 -0.13 0.00 1.34 0.00 0.00 72.50 72.43 2cv4 s THR 47 CO 0.72 -0.03 1.38 -0.65 -0.54 0.00 0.00 174.62 175.50 2cv4 h PRO 48 N 4.75 -0.77 -0.40 3.99 0.11 -1.95 -1.69 132.00 136.04 2cv4 h PRO 48 Ca -0.39 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2cv4 h PRO 48 Cb 1.18 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2cv4 h PRO 48 CO 0.43 -0.52 0.00 0.28 -0.21 0.00 0.00 178.00 177.98 2cv4 n VAL 49 N -4.49 0.00 0.00 3.15 0.31 -1.26 -1.23 118.33 114.82 2cv4 n VAL 49 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2cv4 n VAL 49 Cb 0.34 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 0.49 0.00 0.21 2.52 -1.04 -0.64 -1.19 114.28 114.63 2cv4 n THR 51 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2cv4 n THR 51 Cb 0.00 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.96 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 1.13 -0.10 12.58 1.35 -1.45 -2.19 112.91 124.23 2cv4 h THR 52 Ca 0.00 -0.97 -0.22 0.00 -0.55 0.00 0.00 66.41 64.67 2cv4 h THR 52 Cb 0.00 1.53 0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2cv4 h THR 52 CO 0.00 0.27 -0.81 -0.33 -0.25 0.00 0.00 175.52 174.40 2cv4 h GLU 53 N 0.00 0.63 -0.52 4.72 5.08 -1.41 -1.85 114.58 121.24 2cv4 h GLU 53 Ca -0.00 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 2cv4 h GLU 53 Cb 0.51 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2cv4 h GLU 53 CO 0.04 1.17 0.24 0.74 -1.00 0.00 0.00 179.01 180.20 2cv4 h PHE 54 N 0.42 0.75 -0.48 4.33 -1.00 -1.76 -0.78 116.94 118.42 2cv4 h PHE 54 Ca -0.06 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.62 2cv4 h PHE 54 Cb 1.43 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 2cv4 h PHE 54 CO 0.07 0.60 0.05 0.28 -1.61 0.00 0.00 178.31 177.70 2cv4 h VAL 55 N 0.69 1.23 -0.14 -0.55 2.07 -1.39 0.12 116.25 118.27 2cv4 h VAL 55 Ca 0.18 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2cv4 h VAL 55 Cb 0.13 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2cv4 h VAL 55 CO -0.02 0.32 -0.04 -1.28 0.02 0.00 0.00 177.57 176.57 2cv4 h SER 56 N 0.72 0.29 -0.81 0.57 0.87 -0.72 -1.66 113.55 112.80 2cv4 h SER 56 Ca 0.15 -0.38 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2cv4 h SER 56 Cb 0.37 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2cv4 h SER 56 CO 0.01 0.60 0.53 -0.26 -0.53 0.00 0.00 176.83 177.18 2cv4 h PHE 57 N -0.03 1.01 -0.86 2.24 0.04 -1.03 -2.60 116.94 115.72 2cv4 h PHE 57 Ca 0.04 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.86 2cv4 h PHE 57 Cb 0.47 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2cv4 h PHE 57 CO 0.05 0.62 0.56 0.00 -0.60 0.00 0.00 178.31 178.95 2cv4 h ALA 58 N 1.31 1.46 -0.01 2.45 0.00 -0.66 -1.49 119.26 122.32 2cv4 h ALA 58 Ca 0.30 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 2cv4 h ALA 58 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2cv4 h ALA 58 CO -0.08 0.45 -0.57 0.00 0.00 0.00 0.00 179.25 179.06 2cv4 h ARG 59 N 1.07 0.02 -0.61 0.00 2.47 -0.94 -2.97 114.38 113.43 2cv4 h ARG 59 Ca 0.34 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2cv4 h ARG 59 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2cv4 h ARG 59 CO -0.10 0.59 0.00 0.54 0.56 0.00 0.00 179.97 181.56 2cv4 n ARG 60 N -3.87 2.95 -0.11 0.04 1.74 -0.70 -4.51 116.66 112.19 2cv4 n ARG 60 Ca -0.01 -2.15 -0.09 0.00 -0.77 0.00 0.00 57.85 54.83 2cv4 n ARG 60 Cb 0.57 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 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 3.15 0.47 -0.26 -1.55 5.03 -1.13 -2.50 116.97 120.16 2cv4 h TYR 61 Ca 0.00 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.35 2cv4 h TYR 61 Cb 1.09 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.18 2cv4 h TYR 61 CO 0.55 0.33 0.04 0.93 -1.32 0.00 0.00 178.16 178.69 2cv4 h GLU 62 N 0.47 0.12 -0.83 1.82 4.39 -1.84 0.16 114.58 118.87 2cv4 h GLU 62 Ca 0.13 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.95 2cv4 h GLU 62 Cb -0.01 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 2cv4 h GLU 62 CO -0.02 0.08 0.44 -0.44 -1.16 0.00 0.00 179.01 177.91 2cv4 h ASP 63 N 0.13 0.57 -0.46 1.42 3.32 -1.82 0.30 116.42 119.88 2cv4 h ASP 63 Ca 0.12 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2cv4 h ASP 63 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2cv4 h ASP 63 CO -0.18 0.28 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.11 2cv4 h PHE 64 N 0.67 1.14 -0.55 4.55 0.04 -0.92 -2.84 116.94 119.03 2cv4 h PHE 64 Ca 0.43 -0.29 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 2cv4 h PHE 64 Cb 0.53 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2cv4 h PHE 64 CO -0.08 1.12 0.11 1.96 -0.60 0.00 0.00 178.31 180.81 2cv4 h GLN 65 N 0.83 0.85 0.00 1.51 1.08 0.82 -0.26 115.11 119.94 2cv4 h GLN 65 Ca 0.10 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2cv4 h GLN 65 Cb 0.84 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2cv4 h GLN 65 CO 0.07 0.79 -0.07 -0.09 -0.95 0.00 0.00 178.83 178.58 2cv4 h ARG 66 N 0.82 0.00 -0.40 1.46 2.43 -0.25 -1.34 114.38 117.09 2cv4 h ARG 66 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2cv4 h ARG 66 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2cv4 h ARG 66 CO 0.00 0.07 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 2cv4 n LEU 67 N -3.98 2.87 -2.13 3.80 4.77 -0.87 -4.93 117.00 116.53 2cv4 n LEU 67 Ca -0.03 -1.31 -0.14 0.00 -0.03 0.00 0.00 56.01 54.51 2cv4 n LEU 67 Cb 0.16 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2cv4 n LEU 67 CO 0.31 0.65 0.07 0.61 -1.33 0.00 0.00 177.39 177.70 2cv4 n GLY 68 N 1.38 -0.00 3.17 -0.72 0.00 -0.50 -4.89 105.19 103.63 2cv4 n GLY 68 Ca 0.18 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.05 1.74 0.26 1.61 1.01 -0.16 -1.68 120.40 120.13 2cv4 s VAL 69 Ca 0.26 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2cv4 s VAL 69 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2cv4 s VAL 69 CO 0.33 0.49 0.23 -1.81 0.00 0.00 0.00 175.10 174.34 2cv4 s ASP 70 N 0.24 5.63 -0.06 3.32 1.01 0.23 -3.72 116.67 123.33 2cv4 s ASP 70 Ca -0.12 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 52.96 2cv4 s ASP 70 Cb -0.15 -1.44 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 2cv4 s ASP 70 CO 0.05 -0.07 -0.14 -0.76 0.21 0.00 0.00 175.17 174.47 2cv4 s LEU 71 N -3.87 2.74 -0.14 1.23 1.43 -1.26 0.61 118.68 119.41 2cv4 s LEU 71 Ca 0.34 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 2cv4 s LEU 71 Cb -0.08 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2cv4 s LEU 71 CO 0.26 0.33 0.30 -0.51 0.23 0.00 0.00 176.35 176.96 2cv4 s ILE 72 N -0.65 -0.31 0.69 -0.59 2.07 0.50 -4.25 121.20 118.66 2cv4 s ILE 72 Ca 0.10 0.21 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 2cv4 s ILE 72 Cb -0.11 -0.48 0.10 0.00 0.13 0.00 0.00 42.46 42.09 2cv4 s ILE 72 CO 0.01 0.09 0.96 -0.83 -1.91 0.00 0.00 174.94 173.26 2cv4 s GLY 73 N 2.04 1.77 -0.25 1.50 0.00 -0.32 -1.97 107.32 110.09 2cv4 s GLY 73 Ca -0.03 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 2cv4 s GLY 73 CO -0.10 -0.97 0.58 -2.27 0.00 0.00 0.00 173.10 170.33 2cv4 s LEU 74 N -5.11 -0.82 0.09 0.66 0.20 -0.49 0.99 118.68 114.19 2cv4 s LEU 74 Ca 0.63 1.33 0.02 0.00 0.69 0.00 0.00 54.13 56.81 2cv4 s LEU 74 Cb -0.07 1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 47.63 2cv4 s LEU 74 CO 0.43 -0.22 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.64 2cv4 s SER 75 N 2.23 1.16 0.00 3.68 0.15 -0.96 0.12 113.70 120.08 2cv4 s SER 75 Ca -0.07 -0.87 0.28 0.00 0.70 0.00 0.00 55.95 55.99 2cv4 s SER 75 Cb -0.09 0.06 1.49 0.00 -1.71 0.00 0.00 66.02 65.77 2cv4 s SER 75 CO -0.17 -0.37 1.99 0.52 1.20 0.00 0.00 173.24 176.41 2cv4 n VAL 76 N 0.38 0.07 -2.03 4.45 0.31 -1.26 -1.41 118.33 118.84 2cv4 n VAL 76 Ca -0.15 0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 63.91 2cv4 n VAL 76 Cb 0.59 -0.56 0.05 0.00 -0.91 0.00 0.00 33.84 33.02 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 -2.43 5.21 0.94 4.52 1.01 -1.26 -2.58 116.67 122.07 2cv4 s ASP 77 Ca 0.31 0.90 -0.12 0.00 0.71 0.00 0.00 52.55 54.34 2cv4 s ASP 77 Cb 0.19 -1.66 0.15 0.00 1.01 0.00 0.00 42.92 42.61 2cv4 s ASP 77 CO 0.40 -1.43 1.11 -0.94 0.21 0.00 0.00 175.17 174.53 2cv4 s SER 78 N -4.41 3.21 0.38 0.27 1.04 -1.26 -3.24 113.70 109.68 2cv4 s SER 78 Ca 0.58 1.15 0.17 0.00 0.48 0.00 0.00 55.95 58.34 2cv4 s SER 78 Cb -0.11 -1.80 0.74 0.00 0.10 0.00 0.00 66.02 64.96 2cv4 s SER 78 CO 0.49 -2.76 1.78 -0.37 0.98 0.00 0.00 173.24 173.36 2cv4 h VAL 79 N -1.64 1.02 -0.77 5.02 -1.51 -1.95 -1.59 116.25 114.83 2cv4 h VAL 79 Ca -0.52 -1.42 -0.05 0.00 -1.23 0.00 0.00 66.70 63.49 2cv4 h VAL 79 Cb 1.32 1.82 -0.03 0.00 -2.13 0.00 0.00 31.29 32.27 2cv4 h VAL 79 CO 0.59 0.37 0.30 -0.26 -1.23 0.00 0.00 177.57 177.33 2cv4 h PHE 80 N 0.00 1.18 -0.36 5.19 0.04 -1.99 0.83 116.94 121.83 2cv4 h PHE 80 Ca -0.00 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 2cv4 h PHE 80 Cb 0.79 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2cv4 h PHE 80 CO 0.00 0.90 -0.28 0.77 -0.60 0.00 0.00 178.31 179.11 2cv4 h SER 81 N 1.12 0.87 -0.04 2.17 0.02 -1.85 -1.69 113.55 114.15 2cv4 h SER 81 Ca 0.26 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2cv4 h SER 81 Cb 0.23 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2cv4 h SER 81 CO -0.02 1.13 -0.16 0.45 -1.14 0.00 0.00 176.83 177.08 2cv4 h HIS 82 N 0.62 -0.42 -0.68 3.45 3.86 -0.77 0.65 115.15 121.85 2cv4 h HIS 82 Ca 0.07 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2cv4 h HIS 82 Cb 0.85 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 2cv4 h HIS 82 CO 0.06 -0.24 0.32 0.82 0.86 0.00 0.00 177.93 179.76 2cv4 h ILE 83 N -0.25 1.23 -0.17 2.45 2.04 -0.73 0.10 117.51 122.18 2cv4 h ILE 83 Ca 0.07 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 2cv4 h ILE 83 Cb 0.34 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2cv4 h ILE 83 CO -0.19 0.27 -0.24 0.11 0.00 0.00 0.00 178.15 178.10 2cv4 h LYS 84 N 0.96 0.31 -0.16 2.37 1.79 -0.89 -0.42 116.57 120.53 2cv4 h LYS 84 Ca 0.23 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.48 2cv4 h LYS 84 Cb 0.13 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2cv4 h LYS 84 CO -0.03 0.54 -0.36 2.35 -1.08 0.00 0.00 179.45 180.87 2cv4 h TRP 85 N 0.28 0.67 -0.81 -1.35 7.01 -0.34 -0.71 115.95 120.69 2cv4 h TRP 85 Ca 0.04 -0.25 0.00 0.00 2.11 0.00 0.00 58.89 60.80 2cv4 h TRP 85 Cb 0.59 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2cv4 h TRP 85 CO 0.01 0.99 0.52 0.87 -2.79 0.00 0.00 178.44 178.04 2cv4 h LYS 86 N 0.16 1.08 -0.60 2.65 1.57 -0.75 -1.67 116.57 119.01 2cv4 h LYS 86 Ca -0.00 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2cv4 h LYS 86 Cb 0.97 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2cv4 h LYS 86 CO 0.08 0.73 0.04 1.49 -0.57 0.00 0.00 179.45 181.22 2cv4 h GLU 87 N 1.11 1.02 -0.47 3.15 4.81 -0.82 -1.78 114.58 121.60 2cv4 h GLU 87 Ca 0.30 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2cv4 h GLU 87 Cb -0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2cv4 h GLU 87 CO -0.06 0.97 0.02 2.35 -0.73 0.00 0.00 179.01 181.56 2cv4 h TRP 88 N 0.94 0.88 -0.11 0.92 7.01 -0.59 -1.62 115.95 123.38 2cv4 h TRP 88 Ca 0.18 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2cv4 h TRP 88 Cb 0.49 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 2cv4 h TRP 88 CO 0.03 0.84 0.06 0.82 -2.79 0.00 0.00 178.44 177.40 2cv4 h ILE 89 N 0.67 1.10 -0.44 2.65 2.04 -1.11 0.64 117.51 123.05 2cv4 h ILE 89 Ca 0.14 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2cv4 h ILE 89 Cb 0.47 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2cv4 h ILE 89 CO 0.02 0.08 0.24 -0.08 0.00 0.00 0.00 178.15 178.42 2cv4 h GLU 90 N 0.07 0.47 -0.08 2.37 4.81 -1.30 0.15 114.58 121.07 2cv4 h GLU 90 Ca 0.04 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 2cv4 h GLU 90 Cb 0.09 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.37 2cv4 h GLU 90 CO -0.01 0.31 -0.88 -0.09 -0.73 0.00 0.00 179.01 177.62 2cv4 h ARG 91 N 0.48 0.74 0.00 1.92 2.43 -1.07 -1.98 114.38 116.91 2cv4 h ARG 91 Ca 0.18 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2cv4 h ARG 91 Cb 0.06 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2cv4 h ARG 91 CO -0.11 1.28 -1.14 0.72 -1.51 0.00 0.00 179.97 179.21 2cv4 n HIS 92 N -3.92 0.21 -0.00 2.20 8.25 0.22 -4.41 115.22 117.77 2cv4 n HIS 92 Ca -0.09 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2cv4 n HIS 92 Cb 0.80 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.95 0.02 -0.90 1.59 5.41 -0.01 -5.04 119.36 118.48 2cv4 n ILE 93 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2cv4 n ILE 93 Cb 0.44 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 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 2.61 0.69 2.90 7.39 0.00 -0.74 -5.01 105.19 113.02 2cv4 n GLY 94 Ca -0.01 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 0.72 0.03 1.61 0.11 -1.24 -4.98 120.40 114.65 2cv4 s VAL 95 Ca 0.00 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 2cv4 s VAL 95 Cb 0.00 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2cv4 s VAL 95 CO 0.00 0.29 0.98 -0.60 -3.33 0.00 0.00 175.10 172.44 2cv4 s ARG 96 N 1.23 4.59 -0.39 1.54 3.52 -1.26 -3.24 118.95 124.93 2cv4 s ARG 96 Ca -0.05 1.44 -0.26 0.00 -0.13 0.00 0.00 55.73 56.72 2cv4 s ARG 96 Cb -0.14 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2cv4 s ARG 96 CO -0.02 -0.00 0.95 0.42 -0.81 0.00 0.00 175.30 175.84 2cv4 s ILE 97 N 0.80 4.52 0.12 4.11 1.09 -1.26 -4.91 121.20 125.67 2cv4 s ILE 97 Ca 0.51 1.13 0.08 0.00 -1.10 0.00 0.00 60.65 61.27 2cv4 s ILE 97 Cb -0.22 -4.38 -0.18 0.00 -1.06 0.00 0.00 42.46 36.62 2cv4 s ILE 97 CO 0.28 -0.64 1.32 1.55 -0.10 0.00 0.00 174.94 177.36 2cv4 h PRO 98 N 8.65 0.00 -7.14 2.79 0.13 -1.95 -3.47 132.00 131.01 2cv4 h PRO 98 Ca -0.23 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.40 2cv4 h PRO 98 Cb 1.08 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.25 2cv4 h PRO 98 CO 1.01 0.94 0.27 -0.59 -0.23 0.00 0.00 178.00 179.39 2cv4 s PHE 99 N -2.81 3.59 0.77 1.56 -0.71 -1.26 -5.06 117.98 114.05 2cv4 s PHE 99 Ca 0.01 1.07 -0.11 0.00 -1.04 0.00 0.00 56.93 56.86 2cv4 s PHE 99 Cb 0.10 -2.52 0.05 0.00 -1.21 0.00 0.00 43.02 39.44 2cv4 s PHE 99 CO 0.81 -0.47 1.09 -1.25 -1.34 0.00 0.00 175.22 174.06 2cv4 s PRO 100 N -4.89 2.34 -0.07 1.99 0.04 -1.26 -4.90 135.00 128.25 2cv4 s PRO 100 Ca 0.52 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 2cv4 s PRO 100 Cb -0.11 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2cv4 s PRO 100 CO 0.48 -1.46 -0.03 0.42 0.04 0.00 0.00 177.00 176.46 2cv4 s ILE 101 N -3.13 0.54 0.16 0.56 1.01 -1.26 -1.17 121.20 117.91 2cv4 s ILE 101 Ca 0.60 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 2cv4 s ILE 101 Cb -0.14 -0.64 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 2cv4 s ILE 101 CO 0.54 0.27 1.32 -0.63 0.00 0.00 0.00 174.94 176.45 2cv4 s ILE 102 N 1.61 3.31 -0.31 2.92 1.01 0.28 -1.92 121.20 128.10 2cv4 s ILE 102 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 60.65 61.52 2cv4 s ILE 102 Cb -0.13 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2cv4 s ILE 102 CO -0.04 0.12 0.37 0.00 0.00 0.00 0.00 174.94 175.39 2cv4 s ALA 103 N 0.50 3.52 -0.55 9.38 0.00 -0.76 -2.26 121.76 131.60 2cv4 s ALA 103 Ca 0.59 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2cv4 s ALA 103 Cb -0.36 -2.77 0.33 0.00 0.00 0.00 0.00 23.12 20.32 2cv4 s ALA 103 CO 0.35 -0.89 0.89 -3.47 0.00 0.00 0.00 175.76 172.64 2cv4 n ASP 104 N 5.38 3.83 -0.26 0.00 2.03 -0.50 -4.61 116.55 122.41 2cv4 n ASP 104 Ca -0.09 -3.55 0.33 0.00 0.52 0.00 0.00 54.79 52.00 2cv4 n ASP 104 Cb 0.50 -0.58 0.71 0.00 -0.72 0.00 0.00 41.12 41.03 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 3.13 0.00 -4.87 -0.67 0.11 -1.66 -3.23 132.00 124.81 2cv4 h PRO 105 Ca 0.13 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.62 2cv4 h PRO 105 Cb 0.59 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.35 2cv4 h PRO 105 CO 0.77 0.00 -0.85 -0.65 -0.21 0.00 0.00 178.00 177.06 2cv4 s GLN 106 N -4.78 2.55 0.00 1.05 -1.52 -1.26 -4.96 119.66 110.73 2cv4 s GLN 106 Ca -0.04 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 2cv4 s GLN 106 Cb 0.20 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 2cv4 s GLN 106 CO 0.71 -0.13 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 2cv4 n GLY 107 N 4.43 0.40 0.33 3.09 0.00 -1.22 -4.03 105.19 108.19 2cv4 n GLY 107 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 1.80 0.37 -0.10 2.61 2.02 -1.94 2.90 112.91 120.57 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 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2cv4 h THR 108 CO 0.00 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.49 2cv4 h VAL 109 N -0.66 1.20 -0.48 3.16 2.07 -1.90 0.21 116.25 119.85 2cv4 h VAL 109 Ca -0.02 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2cv4 h VAL 109 Cb 0.58 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2cv4 h VAL 109 CO -0.03 0.18 0.25 0.00 0.02 0.00 0.00 177.57 177.99 2cv4 h ALA 110 N 0.81 0.61 -0.10 1.67 0.00 -1.80 -1.35 119.26 119.10 2cv4 h ALA 110 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2cv4 h ALA 110 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2cv4 h ALA 110 CO 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.19 2cv4 h ARG 111 N 0.50 0.16 -0.27 0.00 3.08 0.54 0.19 114.38 118.58 2cv4 h ARG 111 Ca 0.21 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.30 2cv4 h ARG 111 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2cv4 h ARG 111 CO -0.13 0.32 0.37 -0.09 -1.07 0.00 0.00 179.97 179.37 2cv4 h ARG 112 N -0.03 0.00 -0.13 0.04 9.65 -0.69 0.40 114.38 123.62 2cv4 h ARG 112 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2cv4 h ARG 112 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 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 -3.53 2.94 -1.59 3.80 4.77 -0.53 -4.79 117.00 118.06 2cv4 n LEU 113 Ca 0.04 -1.16 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 2cv4 n LEU 113 Cb 0.51 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2cv4 n LEU 113 CO 0.24 0.55 -0.18 0.61 -1.33 0.00 0.00 177.39 177.28 2cv4 n GLY 114 N 1.24 0.13 0.40 -0.72 0.00 0.14 -4.19 105.19 102.19 2cv4 n GLY 114 Ca 0.14 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.05 1.18 -4.36 0.99 4.77 0.54 -4.64 117.00 113.42 2cv4 n LEU 115 Ca -0.17 -0.57 -0.46 0.00 -0.03 0.00 0.00 56.01 54.78 2cv4 n LEU 115 Cb 0.60 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2cv4 n LEU 115 CO 0.21 0.28 0.59 -0.22 -1.33 0.00 0.00 177.39 176.93 2cv4 s LEU 116 N -1.12 6.38 0.59 2.23 2.96 -1.25 -1.28 118.68 127.18 2cv4 s LEU 116 Ca 0.18 -2.70 -0.02 0.00 -0.22 0.00 0.00 54.13 51.37 2cv4 s LEU 116 Cb 0.10 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.57 2cv4 s LEU 116 CO 0.13 -0.63 0.85 -1.00 -1.32 0.00 0.00 176.35 174.39 2cv4 s HIS 117 N 0.46 2.98 -0.30 5.38 3.76 -1.26 -4.99 115.29 121.32 2cv4 s HIS 117 Ca 0.23 0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.38 2cv4 s HIS 117 Cb -0.09 -2.83 0.26 0.00 1.11 0.00 0.00 32.58 31.03 2cv4 s HIS 117 CO -0.09 -0.96 1.85 0.00 -0.85 0.00 0.00 174.74 174.69 2cv4 n ALA 118 N -2.51 4.82 1.02 -1.40 0.00 -1.26 -3.65 120.51 117.53 2cv4 n ALA 118 Ca 0.07 -1.64 0.11 0.00 0.00 0.00 0.00 53.44 51.98 2cv4 n ALA 118 Cb 0.59 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 0.11 0.39 0.00 0.00 2.13 -1.26 -4.87 120.64 117.14 2cv4 n GLU 119 Ca 0.31 -0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2cv4 n GLU 119 Cb 0.73 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.95 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 -1.04 0.00 -4.56 4.31 7.64 -1.24 -5.07 113.62 113.66 2cv4 n SER 120 Ca 0.06 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.53 2cv4 n SER 120 Cb 0.37 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2cv4 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cv4 s ALA 121 N 0.00 2.69 0.00 -0.43 0.00 -1.26 -4.50 121.76 118.26 2cv4 s ALA 121 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2cv4 s ALA 121 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2cv4 s ALA 121 CO 0.00 -3.18 0.00 0.25 0.00 0.00 0.00 175.76 172.83 2cv4 n THR 122 N 6.79 0.00 -1.92 0.00 -2.24 -1.26 -5.13 114.28 110.52 2cv4 n THR 122 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2cv4 n THR 122 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.79 -4.23 -0.56 4.78 -0.00 -1.26 -4.96 115.22 108.21 2cv4 n HIS 123 Ca 0.00 2.54 -0.30 0.00 -0.00 0.00 0.00 57.72 59.96 2cv4 n HIS 123 Cb 0.00 -3.49 0.22 0.00 -0.00 0.00 0.00 29.99 26.72 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 1.61 0.00 -1.79 1.59 -1.04 -1.26 -4.80 114.28 108.60 2cv4 n THR 124 Ca 0.00 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.40 2cv4 n THR 124 Cb 0.00 -0.93 0.10 0.00 -1.82 0.00 0.00 70.33 67.68 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 -2.43 2.18 -0.67 12.58 1.01 -0.40 -3.63 120.40 129.03 2cv4 s VAL 125 Ca 0.66 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2cv4 s VAL 125 Cb -0.23 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2cv4 s VAL 125 CO 0.64 -0.07 2.87 0.54 0.00 0.00 0.00 175.10 179.08 2cv4 n ARG 126 N -3.41 2.95 -2.86 2.72 1.74 -1.25 -4.16 116.66 112.39 2cv4 n ARG 126 Ca 0.07 -2.33 -0.33 0.00 -0.77 0.00 0.00 57.85 54.49 2cv4 n ARG 126 Cb 0.60 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.69 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 0.84 2.44 -0.06 -0.13 0.00 -1.26 -2.90 107.32 106.25 2cv4 s GLY 127 Ca 0.60 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.70 2cv4 s GLY 127 CO -0.14 0.65 -0.08 0.14 0.00 0.00 0.00 173.10 173.67 2cv4 s VAL 128 N -2.07 0.86 -0.13 1.40 1.01 0.14 -0.89 120.40 120.72 2cv4 s VAL 128 Ca 0.59 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2cv4 s VAL 128 Cb -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2cv4 s VAL 128 CO 0.15 0.30 -0.22 -0.36 0.00 0.00 0.00 175.10 174.97 2cv4 s PHE 129 N 0.85 2.65 -0.30 5.22 0.40 0.82 -1.68 117.98 125.93 2cv4 s PHE 129 Ca -0.12 -1.19 -0.07 0.00 -0.60 0.00 0.00 56.93 54.95 2cv4 s PHE 129 Cb -0.15 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.60 2cv4 s PHE 129 CO 0.01 -0.52 0.10 0.42 0.70 0.00 0.00 175.22 175.93 2cv4 s ILE 130 N 0.64 4.05 -0.13 0.64 1.01 -0.63 -1.02 121.20 125.77 2cv4 s ILE 130 Ca -0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2cv4 s ILE 130 Cb -0.16 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2cv4 s ILE 130 CO 0.02 0.04 -0.10 -0.69 0.00 0.00 0.00 174.94 174.21 2cv4 s VAL 131 N 1.51 3.34 0.83 2.92 1.01 -0.61 -0.25 120.40 129.15 2cv4 s VAL 131 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2cv4 s VAL 131 Cb -0.17 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.92 2cv4 s VAL 131 CO 0.03 0.52 1.16 1.51 0.00 0.00 0.00 175.10 178.33 2cv4 s ASP 132 N 0.25 3.99 0.00 3.32 1.47 -0.12 -1.52 116.67 124.05 2cv4 s ASP 132 Ca -0.07 0.30 0.04 0.00 1.18 0.00 0.00 52.55 54.00 2cv4 s ASP 132 Cb -0.15 -0.63 0.18 0.00 -0.34 0.00 0.00 42.92 41.99 2cv4 s ASP 132 CO 0.04 -2.16 0.97 0.00 0.68 0.00 0.00 175.17 174.71 2cv4 n ALA 133 N -3.32 1.34 -0.53 2.11 0.00 -1.26 0.10 120.51 118.96 2cv4 n ALA 133 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2cv4 n ALA 133 Cb 0.60 -1.06 0.22 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.32 3.00 -1.04 0.00 1.85 -1.26 -4.54 116.66 113.36 2cv4 n ARG 134 Ca 0.02 -2.45 -0.01 0.00 -1.00 0.00 0.00 57.85 54.41 2cv4 n ARG 134 Cb 0.03 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 29.88 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 0.23 0.51 3.80 2.89 0.00 0.12 -4.95 105.19 107.77 2cv4 n GLY 135 Ca 0.17 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 5.31 -0.11 1.61 1.01 -1.25 0.31 120.40 125.28 2cv4 s VAL 136 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2cv4 s VAL 136 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2cv4 s VAL 136 CO 0.00 0.50 1.39 -0.63 0.00 0.00 0.00 175.10 176.36 2cv4 s ILE 137 N -0.31 4.02 -0.09 2.22 1.01 -0.52 -0.95 121.20 126.57 2cv4 s ILE 137 Ca 0.17 1.26 0.18 0.00 0.00 0.00 0.00 60.65 62.26 2cv4 s ILE 137 Cb -0.13 -3.81 -0.27 0.00 0.01 0.00 0.00 42.46 38.25 2cv4 s ILE 137 CO 0.05 -0.09 0.28 0.54 0.00 0.00 0.00 174.94 175.72 2cv4 n ARG 138 N 6.52 0.78 -1.06 2.79 5.12 0.65 -1.21 116.66 130.25 2cv4 n ARG 138 Ca 0.15 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2cv4 n ARG 138 Cb 0.44 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 -2.39 0.00 -3.65 0.55 -1.04 -1.19 -4.89 114.28 101.67 2cv4 n THR 139 Ca -0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 2cv4 n THR 139 Cb 0.76 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.20 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 -0.09 -0.41 -4.42 1.43 -0.68 -1.60 118.68 112.92 2cv4 s LEU 141 Ca 0.00 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2cv4 s LEU 141 Cb 0.00 1.14 0.11 0.00 0.03 0.00 0.00 46.19 47.47 2cv4 s LEU 141 CO 0.00 -0.02 0.14 -0.31 0.23 0.00 0.00 176.35 176.39 2cv4 s TYR 142 N 0.86 3.21 0.36 0.29 2.02 -1.26 -0.69 117.35 122.14 2cv4 s TYR 142 Ca -0.05 -2.89 -0.09 0.00 -0.37 0.00 0.00 57.07 53.67 2cv4 s TYR 142 Cb -0.03 -2.68 -0.06 0.00 -0.40 0.00 0.00 41.96 38.79 2cv4 s TYR 142 CO -0.11 -0.86 0.70 0.71 -1.57 0.00 0.00 175.55 174.42 2cv4 s TYR 143 N 0.51 3.47 0.00 2.71 2.02 -1.14 -5.00 117.35 119.91 2cv4 s TYR 143 Ca 0.14 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2cv4 s TYR 143 Cb -0.22 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2cv4 s TYR 143 CO -0.06 -0.01 0.00 -0.35 -1.57 0.00 0.00 175.55 173.56 2cv4 n PRO 144 N -1.15 0.00 0.00 -1.71 -0.04 -1.26 -3.77 135.00 127.08 2cv4 n PRO 144 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2cv4 n PRO 144 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -4.00 0.54 0.00 -1.26 -4.70 120.64 111.23 2cv4 n GLU 146 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 2cv4 n GLU 146 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.29 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 3.24 0.73 -1.84 1.98 -1.26 -5.06 118.68 116.47 2cv4 s LEU 147 Ca 0.00 -1.43 -0.16 0.00 -2.89 0.00 0.00 54.13 49.66 2cv4 s LEU 147 Cb 0.00 -1.39 0.03 0.00 0.66 0.00 0.00 46.19 45.49 2cv4 s LEU 147 CO 0.00 -0.24 1.11 0.61 -1.89 0.00 0.00 176.35 175.94 2cv4 n GLY 148 N 4.52 -0.08 3.89 7.98 0.00 -1.26 -4.94 105.19 115.30 2cv4 n GLY 148 Ca -0.10 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2cv4 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cv4 s ARG 149 N -3.57 2.56 -0.67 1.61 0.52 -1.26 -5.02 118.95 113.11 2cv4 s ARG 149 Ca 0.76 0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 56.17 2cv4 s ARG 149 Cb -0.34 -2.02 0.17 0.00 0.52 0.00 0.00 34.95 33.29 2cv4 s ARG 149 CO 0.48 -1.20 0.56 -1.17 0.02 0.00 0.00 175.30 174.00 2cv4 s LEU 150 N -5.40 6.03 0.38 2.53 0.20 -1.26 -4.95 118.68 116.21 2cv4 s LEU 150 Ca 0.59 -2.52 0.10 0.00 0.69 0.00 0.00 54.13 52.99 2cv4 s LEU 150 Cb -0.11 -2.06 0.87 0.00 -0.43 0.00 0.00 46.19 44.46 2cv4 s LEU 150 CO 0.50 -0.55 1.92 0.58 -0.29 0.00 0.00 176.35 178.51 2cv4 h VAL 151 N 5.28 0.89 -0.15 1.68 2.07 -1.96 0.01 116.25 124.07 2cv4 h VAL 151 Ca -0.02 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2cv4 h VAL 151 Cb 1.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2cv4 h VAL 151 CO 0.78 0.11 0.07 0.44 0.02 0.00 0.00 177.57 179.00 2cv4 h ASP 152 N 0.62 0.18 0.60 0.57 3.32 -1.92 -1.48 116.42 118.30 2cv4 h ASP 152 Ca 0.37 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 2cv4 h ASP 152 Cb 0.58 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2cv4 h ASP 152 CO -0.14 0.15 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.02 2cv4 h GLU 153 N 0.21 0.00 -0.34 3.56 4.57 -1.33 -1.29 114.58 119.96 2cv4 h GLU 153 Ca 0.05 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.09 2cv4 h GLU 153 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2cv4 h GLU 153 CO -0.01 0.44 -0.38 0.82 -1.18 0.00 0.00 179.01 178.71 2cv4 h ILE 154 N 0.00 1.28 -0.29 2.32 2.04 -1.27 -1.49 117.51 120.10 2cv4 h ILE 154 Ca -0.00 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 2cv4 h ILE 154 Cb 0.86 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2cv4 h ILE 154 CO 0.06 0.51 0.08 -0.07 0.00 0.00 0.00 178.15 178.72 2cv4 h LEU 155 N 0.66 0.44 -1.39 1.44 3.38 -1.18 -1.96 115.31 116.70 2cv4 h LEU 155 Ca 0.06 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2cv4 h LEU 155 Cb 0.93 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2cv4 h LEU 155 CO 0.09 0.55 0.46 -0.09 0.09 0.00 0.00 178.44 179.54 2cv4 h ARG 156 N 0.31 0.73 -0.06 1.13 2.43 -0.99 -0.01 114.38 117.90 2cv4 h ARG 156 Ca 0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2cv4 h ARG 156 Cb 0.28 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2cv4 h ARG 156 CO 0.00 0.48 0.01 0.82 -1.51 0.00 0.00 179.97 179.77 2cv4 h ILE 157 N 0.75 1.23 -0.46 1.20 2.04 -0.81 0.31 117.51 121.78 2cv4 h ILE 157 Ca 0.30 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2cv4 h ILE 157 Cb 0.22 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2cv4 h ILE 157 CO -0.10 0.20 0.22 0.58 0.00 0.00 0.00 178.15 179.05 2cv4 h VAL 158 N -0.16 1.18 -0.18 1.67 2.07 -0.85 -0.43 116.25 119.56 2cv4 h VAL 158 Ca 0.02 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2cv4 h VAL 158 Cb 0.31 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2cv4 h VAL 158 CO 0.00 0.20 0.12 0.50 0.02 0.00 0.00 177.57 178.41 2cv4 h LYS 159 N 0.59 0.23 -0.50 1.57 1.63 -0.92 -0.83 116.57 118.34 2cv4 h LYS 159 Ca 0.16 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.86 2cv4 h LYS 159 Cb 0.12 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 2cv4 h LYS 159 CO -0.02 0.16 -0.00 0.00 -3.45 0.00 0.00 179.45 176.13 2cv4 h ALA 160 N 1.06 1.06 -0.32 5.00 0.00 -0.68 -2.47 119.26 122.92 2cv4 h ALA 160 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2cv4 h ALA 160 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2cv4 h ALA 160 CO -0.01 0.59 -0.08 -0.07 0.00 0.00 0.00 179.25 179.68 2cv4 h LEU 161 N 0.78 0.62 -1.22 0.00 4.07 -0.86 0.40 115.31 119.10 2cv4 h LEU 161 Ca 0.15 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2cv4 h LEU 161 Cb 0.47 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 2cv4 h LEU 161 CO 0.02 0.84 0.34 0.11 -1.08 0.00 0.00 178.44 178.67 2cv4 h LYS 162 N 0.39 0.88 -0.21 1.13 1.57 -1.05 0.07 116.57 119.35 2cv4 h LYS 162 Ca 0.08 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2cv4 h LYS 162 Cb 0.57 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2cv4 h LYS 162 CO 0.03 0.65 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.40 2cv4 h LEU 163 N 0.88 0.44 -0.90 2.94 3.38 -1.25 -0.66 115.31 120.15 2cv4 h LEU 163 Ca 0.22 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2cv4 h LEU 163 Cb 0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2cv4 h LEU 163 CO -0.04 0.75 0.56 1.23 0.09 0.00 0.00 178.44 181.03 2cv4 h GLY 164 N 0.14 1.35 0.77 0.83 0.00 -0.49 -0.07 103.07 105.60 2cv4 h GLY 164 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2cv4 h GLY 164 CO 0.03 0.29 -0.11 -0.55 0.00 0.00 0.00 176.54 176.20 2cv4 h ASP 165 N 1.03 -0.25 0.23 0.19 3.32 -0.77 0.21 116.42 120.38 2cv4 h ASP 165 Ca 0.39 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 2cv4 h ASP 165 Cb 0.15 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2cv4 h ASP 165 CO -0.17 0.02 -0.44 0.77 -1.72 0.00 0.00 179.24 177.71 2cv4 h SER 166 N -0.54 0.28 -0.39 6.45 4.64 -0.91 -3.04 113.55 120.04 2cv4 h SER 166 Ca -0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2cv4 h SER 166 Cb 0.40 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2cv4 h SER 166 CO 0.05 0.69 0.00 0.18 -0.87 0.00 0.00 176.83 176.88 2cv4 n LEU 167 N -4.00 3.40 -3.73 5.97 4.77 -0.06 -4.99 117.00 118.35 2cv4 n LEU 167 Ca -0.02 -1.47 -0.27 0.00 -0.03 0.00 0.00 56.01 54.23 2cv4 n LEU 167 Cb 0.50 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2cv4 n LEU 167 CO 0.42 0.73 -0.12 0.29 -1.33 0.00 0.00 177.39 177.39 2cv4 n LYS 168 N 1.45 -1.19 -3.94 3.23 5.02 -0.03 -5.01 118.16 117.68 2cv4 n LYS 168 Ca 0.19 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 57.07 2cv4 n LYS 168 Cb 0.60 -3.14 -0.09 0.00 -0.02 0.00 0.00 35.03 32.38 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 -5.35 0.63 0.23 1.97 1.81 -0.65 -4.62 118.95 112.98 2cv4 s ARG 169 Ca 0.18 -0.87 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 2cv4 s ARG 169 Cb -0.08 0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.63 2cv4 s ARG 169 CO 0.89 -0.16 0.37 0.00 -0.68 0.00 0.00 175.30 175.72 2cv4 s ALA 170 N -3.03 3.90 -0.16 2.13 0.00 0.14 -4.43 121.76 120.30 2cv4 s ALA 170 Ca -0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2cv4 s ALA 170 Cb 0.01 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 2cv4 s ALA 170 CO -0.07 0.29 -0.11 0.08 0.00 0.00 0.00 175.76 175.96 2cv4 s VAL 171 N -1.96 3.06 0.93 0.00 1.01 -1.26 -0.88 120.40 121.29 2cv4 s VAL 171 Ca 0.35 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2cv4 s VAL 171 Cb -0.10 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.11 2cv4 s VAL 171 CO 0.30 0.49 1.09 -2.16 0.00 0.00 0.00 175.10 174.82 2cv4 s PRO 172 N 0.81 0.98 0.43 2.72 0.04 -1.26 -4.95 135.00 133.77 2cv4 s PRO 172 Ca -0.04 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.77 2cv4 s PRO 172 Cb -0.15 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2cv4 s PRO 172 CO 0.01 -2.49 1.45 0.00 0.04 0.00 0.00 177.00 176.01 2cv4 n ALA 173 N -4.08 2.16 -1.14 8.56 0.00 -1.26 -2.56 120.51 122.19 2cv4 n ALA 173 Ca 0.08 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 2cv4 n ALA 173 Cb 0.54 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.00 -5.25 -4.74 0.00 8.00 -1.26 -4.05 116.55 109.24 2cv4 n ASP 174 Ca 0.04 0.12 -0.39 0.00 0.71 0.00 0.00 54.79 55.26 2cv4 n ASP 174 Cb 0.41 -3.16 0.03 0.00 -0.02 0.00 0.00 41.12 38.38 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 -2.30 2.42 0.38 1.24 -0.00 -1.06 -0.18 117.44 117.93 2cv4 n TRP 175 Ca -0.05 0.44 -0.02 0.00 -0.00 0.00 0.00 57.50 57.88 2cv4 n TRP 175 Cb 0.43 -2.40 0.10 0.00 -0.00 0.00 0.00 31.31 29.44 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 -0.59 1.87 -1.91 5.87 -0.04 -1.26 -4.93 135.00 134.00 2cv4 n PRO 176 Ca 0.08 -0.95 -0.28 0.00 -0.04 0.00 0.00 63.50 62.31 2cv4 n PRO 176 Cb 0.43 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.11 5.69 -4.76 3.54 3.02 0.75 -3.17 115.26 120.44 2cv4 n ASN 177 Ca 0.13 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.51 2cv4 n ASN 177 Cb 0.67 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 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 -3.04 6.79 0.34 6.41 2.47 -0.68 -4.84 114.94 122.39 2cv4 s ASN 178 Ca 0.54 2.65 0.26 0.00 0.42 0.00 0.00 52.86 56.73 2cv4 s ASN 178 Cb 0.43 -2.64 1.09 0.00 -1.45 0.00 0.00 41.25 38.68 2cv4 s ASN 178 CO -0.03 -0.53 1.79 -0.33 -3.72 0.00 0.00 177.10 174.28 2cv4 h GLU 179 N 3.68 0.00 0.01 0.43 5.08 -1.89 0.15 114.58 122.04 2cv4 h GLU 179 Ca -0.48 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.50 2cv4 h GLU 179 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2cv4 h GLU 179 CO 0.67 0.00 -2.10 -0.89 -1.00 0.00 0.00 179.01 175.70 2cv4 n ILE 180 N -2.48 1.55 -0.48 3.13 5.41 -1.26 -4.72 119.36 120.51 2cv4 n ILE 180 Ca 0.02 -0.33 0.02 0.00 1.00 0.00 0.00 62.75 63.46 2cv4 n ILE 180 Cb 0.25 -1.86 0.03 0.00 -0.71 0.00 0.00 39.64 37.36 2cv4 n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2cv4 n ILE 181 N -4.11 1.02 0.00 1.39 -5.35 -1.24 -5.08 119.36 105.98 2cv4 n ILE 181 Ca -0.45 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 2cv4 n ILE 181 Cb 0.85 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.62 0.97 0.89 3.28 0.00 0.51 -0.20 105.19 110.02 2cv4 n GLY 182 Ca 0.04 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 2.04 -1.22 1.61 0.28 -1.19 -1.69 120.64 120.47 2cv4 n GLU 183 Ca 0.00 -1.86 -0.36 0.00 -0.16 0.00 0.00 57.16 54.79 2cv4 n GLU 183 Cb 0.00 -1.42 0.08 0.00 1.43 0.00 0.00 31.44 31.53 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 1.22 -1.46 3.24 -1.84 0.00 0.72 -4.88 105.19 102.20 2cv4 n GLY 184 Ca 0.14 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.64 2.03 0.07 0.99 1.43 0.54 -4.60 118.68 118.50 2cv4 s LEU 185 Ca 0.65 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 2cv4 s LEU 185 Cb -0.33 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2cv4 s LEU 185 CO 0.58 0.24 0.91 -0.63 0.23 0.00 0.00 176.35 177.69 2cv4 s ILE 186 N -0.30 4.64 0.02 -0.59 1.01 -0.06 -1.78 121.20 124.14 2cv4 s ILE 186 Ca 0.02 1.95 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 2cv4 s ILE 186 Cb -0.11 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2cv4 s ILE 186 CO 0.01 0.29 0.88 -0.69 0.00 0.00 0.00 174.94 175.43 2cv4 s VAL 187 N 0.22 4.81 0.25 2.92 1.01 0.30 0.27 120.40 130.18 2cv4 s VAL 187 Ca 0.46 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.99 2cv4 s VAL 187 Cb -0.22 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 2cv4 s VAL 187 CO 0.28 0.25 1.25 -2.65 0.00 0.00 0.00 175.10 174.23 2cv4 n PRO 188 N 3.46 1.71 -1.69 2.72 -0.02 -1.26 -4.57 135.00 135.35 2cv4 n PRO 188 Ca 0.02 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2cv4 n PRO 188 Cb 0.51 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.48 1.92 -2.24 0.52 -0.02 -1.26 -4.96 135.00 130.45 2cv4 n PRO 189 Ca 0.11 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 2cv4 n PRO 189 Cb 0.31 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 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 -2.12 3.95 0.00 0.52 0.02 -1.26 -4.95 135.00 131.16 2cv4 s PRO 190 Ca 0.60 1.88 0.20 0.00 0.02 0.00 0.00 61.00 63.70 2cv4 s PRO 190 Cb -0.52 -2.62 0.25 0.00 0.02 0.00 0.00 34.50 31.63 2cv4 s PRO 190 CO 0.59 -0.42 1.21 0.25 -0.33 0.00 0.00 177.00 178.30 2cv4 n THR 191 N -0.07 0.24 -4.08 0.99 -2.24 -1.26 -4.87 114.28 102.99 2cv4 n THR 191 Ca 0.05 -0.62 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 2cv4 n THR 191 Cb 0.46 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.50 0.34 0.16 4.28 -4.23 -1.26 -5.06 115.64 108.37 2cv4 s THR 192 Ca 0.28 -1.52 -0.16 0.00 -1.18 0.00 0.00 61.69 59.11 2cv4 s THR 192 Cb 0.18 -1.13 0.04 0.00 1.34 0.00 0.00 72.50 72.93 2cv4 s THR 192 CO 0.26 -0.77 1.73 -0.08 -0.54 0.00 0.00 174.62 175.22 2cv4 h GLU 193 N 3.66 0.22 -0.66 3.99 4.81 -1.99 -0.77 114.58 123.83 2cv4 h GLU 193 Ca -0.34 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2cv4 h GLU 193 Cb 1.17 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 2cv4 h GLU 193 CO 0.56 0.14 0.40 -0.44 -0.73 0.00 0.00 179.01 178.94 2cv4 h ASP 194 N 0.22 0.63 -0.73 1.04 3.32 -2.00 -1.48 116.42 117.42 2cv4 h ASP 194 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2cv4 h ASP 194 Cb 0.19 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2cv4 h ASP 194 CO -0.22 0.42 0.39 1.56 -1.72 0.00 0.00 179.24 179.68 2cv4 h GLN 195 N 0.76 1.03 -0.11 3.56 4.20 -1.85 -1.78 115.11 120.92 2cv4 h GLN 195 Ca 0.28 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2cv4 h GLN 195 Cb 0.08 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2cv4 h GLN 195 CO -0.13 0.77 -0.12 0.00 -0.67 0.00 0.00 178.83 178.68 2cv4 h ALA 196 N 1.20 -0.05 -0.77 3.87 0.00 -0.14 -0.19 119.26 123.18 2cv4 h ALA 196 Ca 0.26 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2cv4 h ALA 196 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2cv4 h ALA 196 CO -0.04 -0.58 0.30 0.00 0.00 0.00 0.00 179.25 178.93 2cv4 h ARG 197 N -0.15 1.16 -0.57 0.00 3.08 -1.31 -2.95 114.38 113.65 2cv4 h ARG 197 Ca 0.08 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 2cv4 h ARG 197 Cb 0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2cv4 h ARG 197 CO -0.20 0.95 0.12 0.00 -1.07 0.00 0.00 179.97 179.78 2cv4 h ALA 198 N 1.16 1.15 0.00 0.04 0.00 -0.81 -3.36 119.26 117.44 2cv4 h ALA 198 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2cv4 h ALA 198 Cb 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2cv4 h ALA 198 CO -0.02 0.57 0.95 -2.13 0.00 0.00 0.00 179.25 178.62 2cv4 n ARG 199 N -4.26 0.51 -1.58 0.00 0.63 -0.13 -4.84 116.66 107.00 2cv4 n ARG 199 Ca 0.04 -0.50 -0.00 0.00 -0.92 0.00 0.00 57.85 56.46 2cv4 n ARG 199 Cb 0.24 -1.88 -0.00 0.00 0.45 0.00 0.00 32.46 31.27 2cv4 n ARG 199 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2cv4 n GLU 201 N 3.87 -0.31 0.00 -0.14 4.07 -1.26 -4.85 120.64 122.01 2cv4 n GLU 201 Ca 0.11 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.91 2cv4 n GLU 201 Cb 0.10 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2cv4 n SER 202 N 0.11 0.00 0.00 4.31 7.64 -1.26 -4.04 113.62 120.38 2cv4 n SER 202 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2cv4 n SER 202 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2cv4 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cv4 n GLY 203 N 0.00 1.00 3.56 0.23 0.00 -1.26 -4.89 105.19 103.82 2cv4 n GLY 203 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2cv4 n GLY 203 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cv4 s GLN 204 N 0.00 2.06 0.00 1.61 0.74 -1.26 -4.56 119.66 118.25 2cv4 s GLN 204 Ca 0.00 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.91 2cv4 s GLN 204 Cb 0.00 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 29.34 2cv4 s GLN 204 CO 0.00 -3.75 0.00 0.66 -0.55 0.00 0.00 175.29 171.65 2cv4 n TYR 205 N 16.26 0.00 -2.14 1.67 0.53 -1.26 -4.93 117.16 127.29 2cv4 n TYR 205 Ca 0.40 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.87 2cv4 n TYR 205 Cb 0.48 -0.75 -0.02 0.00 -1.03 0.00 0.00 39.34 38.01 2cv4 n TYR 205 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2cv4 s ARG 206 N -4.89 4.37 0.01 -0.72 0.52 -1.02 -4.82 118.95 112.40 2cv4 s ARG 206 Ca 0.00 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.40 2cv4 s ARG 206 Cb 0.00 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 2cv4 s ARG 206 CO 0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 175.30 175.13 2cv4 n LEU 208 N 2.57 0.35 -3.80 0.00 4.77 0.73 -4.99 117.00 116.63 2cv4 n LEU 208 Ca -0.16 0.16 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2cv4 n LEU 208 Cb 0.58 0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 2cv4 n LEU 208 CO 0.24 0.34 0.64 -0.62 -1.33 0.00 0.00 177.39 176.66 2cv4 s ASP 209 N -5.55 -0.17 0.64 -1.43 -1.08 -1.23 -4.97 116.67 102.88 2cv4 s ASP 209 Ca -0.07 -0.53 0.39 0.00 -0.52 0.00 0.00 52.55 51.81 2cv4 s ASP 209 Cb 0.08 0.58 2.20 0.00 -1.46 0.00 0.00 42.92 44.32 2cv4 s ASP 209 CO 0.84 -1.09 2.33 4.11 0.52 0.00 0.00 175.17 181.87 2cv4 h TRP 210 N 2.00 0.00 -0.03 -5.34 5.08 -1.94 -0.14 115.95 115.58 2cv4 h TRP 210 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 2cv4 h TRP 210 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2cv4 h TRP 210 CO 0.53 0.00 -0.11 -2.67 -1.28 0.00 0.00 178.44 174.92 2cv4 n TRP 211 N -3.38 0.00 -3.69 0.12 4.27 -1.26 -4.44 117.44 109.06 2cv4 n TRP 211 Ca -0.03 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.30 2cv4 n TRP 211 Cb 0.08 -0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.91 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 -2.11 2.44 0.06 -2.67 2.19 -0.07 -4.56 117.98 113.27 2cv4 s PHE 212 Ca 0.27 -2.84 0.08 0.00 0.33 0.00 0.00 56.93 54.76 2cv4 s PHE 212 Cb 0.20 -1.95 -0.03 0.00 -1.31 0.00 0.00 43.02 39.93 2cv4 s PHE 212 CO 0.36 -0.68 -0.21 0.00 1.83 0.00 0.00 175.22 176.52 2cv4 s TRP 214 N -0.93 0.37 0.25 0.00 -2.14 -0.64 -0.54 118.94 115.31 2cv4 s TRP 214 Ca 0.07 -0.72 0.01 0.00 2.66 0.00 0.00 56.10 58.12 2cv4 s TRP 214 Cb -0.09 0.11 -0.00 0.00 -3.10 0.00 0.00 33.47 30.39 2cv4 s TRP 214 CO 0.03 -0.91 0.31 -0.40 -2.66 0.00 0.00 176.95 173.32 2cv4 n ASP 215 N -0.34 -0.85 -3.19 -2.66 5.75 -0.73 -2.44 116.55 112.09 2cv4 n ASP 215 Ca -0.03 -2.42 -0.25 0.00 -0.01 0.00 0.00 54.79 52.07 2cv4 n ASP 215 Cb 0.62 1.65 -0.06 0.00 -1.03 0.00 0.00 41.12 42.31 2cv4 n ASP 215 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2cv4 n THR 216 N -0.43 1.71 0.57 2.12 -2.24 -1.26 -0.34 114.28 114.41 2cv4 n THR 216 Ca 0.02 -5.04 0.13 0.00 -2.27 0.00 0.00 64.05 56.88 2cv4 n THR 216 Cb 0.43 -1.57 0.43 0.00 -2.10 0.00 0.00 70.33 67.51 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 0.50 0.25 -2.48 -0.78 -0.04 -1.26 -4.86 135.00 126.33 2cv4 n PRO 217 Ca 0.28 0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 63.63 2cv4 n PRO 217 Cb 0.46 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 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 -3.16 3.16 0.61 0.55 0.00 -1.26 -5.00 121.76 116.66 2cv4 s ALA 218 Ca 0.09 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 2cv4 s ALA 218 Cb 0.11 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 2cv4 s ALA 218 CO 0.55 -0.26 1.13 -1.54 0.00 0.00 0.00 175.76 175.64 2cv4 s SER 219 N -1.34 5.30 0.45 0.00 1.04 -1.26 -4.85 113.70 113.04 2cv4 s SER 219 Ca 0.55 2.14 0.10 0.00 0.48 0.00 0.00 55.95 59.22 2cv4 s SER 219 Cb -0.26 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.29 2cv4 s SER 219 CO 0.32 -1.50 2.08 -0.09 0.98 0.00 0.00 173.24 175.03 2cv4 h ARG 220 N 0.57 0.37 -0.48 4.02 2.43 -1.98 -0.70 114.38 118.61 2cv4 h ARG 220 Ca -0.49 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 2cv4 h ARG 220 Cb 1.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2cv4 h ARG 220 CO 0.55 0.24 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.81 2cv4 h ASP 221 N 0.38 0.83 0.04 -3.80 3.32 -1.98 0.18 116.42 115.39 2cv4 h ASP 221 Ca 0.11 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2cv4 h ASP 221 Cb -0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2cv4 h ASP 221 CO -0.02 0.93 -0.02 0.44 -1.72 0.00 0.00 179.24 178.85 2cv4 h ASP 222 N 0.70 -0.05 -0.20 6.45 3.32 -1.64 0.35 116.42 125.35 2cv4 h ASP 222 Ca 0.14 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.98 2cv4 h ASP 222 Cb 0.51 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2cv4 h ASP 222 CO 0.02 0.22 -0.09 0.58 -1.72 0.00 0.00 179.24 178.26 2cv4 h VAL 223 N -0.32 0.71 -0.53 -1.35 2.07 -1.12 -0.93 116.25 114.78 2cv4 h VAL 223 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2cv4 h VAL 223 Cb 0.29 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2cv4 h VAL 223 CO 0.01 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.25 2cv4 h GLU 224 N -0.06 0.92 -0.91 1.57 5.08 -0.88 -1.00 114.58 119.30 2cv4 h GLU 224 Ca 0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2cv4 h GLU 224 Cb 0.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2cv4 h GLU 224 CO -0.24 0.93 0.58 1.49 -1.00 0.00 0.00 179.01 180.77 2cv4 h GLU 225 N 0.85 1.22 -0.42 2.33 4.81 0.12 -0.82 114.58 122.67 2cv4 h GLU 225 Ca 0.15 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2cv4 h GLU 225 Cb 0.53 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2cv4 h GLU 225 CO 0.03 0.83 0.15 0.00 -0.73 0.00 0.00 179.01 179.28 2cv4 h ALA 226 N 1.32 0.55 -0.05 2.92 0.00 -0.54 -2.71 119.26 120.75 2cv4 h ALA 226 Ca 0.33 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2cv4 h ALA 226 Cb -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2cv4 h ALA 226 CO -0.07 0.18 -0.44 -0.09 0.00 0.00 0.00 179.25 178.84 2cv4 h ARG 227 N 0.54 0.12 -0.26 0.00 2.43 -0.87 -2.83 114.38 113.50 2cv4 h ARG 227 Ca 0.14 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2cv4 h ARG 227 Cb 0.23 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2cv4 h ARG 227 CO -0.01 0.53 0.02 -0.09 -1.51 0.00 0.00 179.97 178.92 2cv4 h ARG 228 N 0.10 0.38 -0.84 0.20 9.65 -0.83 -1.28 114.38 121.76 2cv4 h ARG 228 Ca 0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2cv4 h ARG 228 Cb 0.81 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.29 2cv4 h ARG 228 CO 0.06 0.39 0.47 1.88 2.80 0.00 0.00 179.97 185.57 2cv4 h TYR 229 N 0.37 1.13 -0.09 2.20 0.05 -1.39 0.15 116.97 119.40 2cv4 h TYR 229 Ca 0.09 -0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.67 2cv4 h TYR 229 Cb 0.21 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2cv4 h TYR 229 CO 0.01 0.78 -0.69 -0.07 -1.05 0.00 0.00 178.16 177.13 2cv4 h LEU 230 N 1.17 0.46 -0.41 3.88 3.38 -1.50 -1.94 115.31 120.36 2cv4 h LEU 230 Ca 0.30 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2cv4 h LEU 230 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2cv4 h LEU 230 CO -0.05 1.02 0.11 -0.09 0.09 0.00 0.00 178.44 179.51 2cv4 h ARG 231 N 0.28 0.65 -0.23 1.13 2.43 -0.48 -0.79 114.38 117.37 2cv4 h ARG 231 Ca -0.02 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 2cv4 h ARG 231 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2cv4 h ARG 231 CO 0.12 0.66 -0.14 -0.09 -1.51 0.00 0.00 179.97 179.01 2cv4 h ARG 232 N 0.52 0.38 -0.21 0.20 2.43 -0.61 -1.65 114.38 115.43 2cv4 h ARG 232 Ca 0.13 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 2cv4 h ARG 232 Cb 0.30 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2cv4 h ARG 232 CO -0.00 0.52 -0.57 0.00 -1.51 0.00 0.00 179.97 178.41 2cv4 h ALA 233 N 1.50 0.59 0.00 2.80 0.00 -0.92 -3.15 119.26 120.09 2cv4 h ALA 233 Ca 0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2cv4 h ALA 233 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2cv4 h ALA 233 CO 0.03 0.69 -0.25 0.00 0.00 0.00 0.00 179.25 179.71 2cv4 h ALA 234 N 0.85 1.02 -2.66 0.00 0.00 -0.76 -3.46 119.26 114.25 2cv4 h ALA 234 Ca 0.00 -0.23 -0.51 0.00 0.00 0.00 0.00 54.91 54.17 2cv4 h ALA 234 Cb 1.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2cv4 h ALA 234 CO 0.11 0.32 0.43 -1.21 0.00 0.00 0.00 179.25 178.90 2cv4 s GLU 235 N -3.65 4.67 0.08 0.00 2.02 -0.66 -5.01 118.70 116.15 2cv4 s GLU 235 Ca 0.00 1.62 -0.31 0.00 0.02 0.00 0.00 54.97 56.31 2cv4 s GLU 235 Cb 0.10 -3.29 -0.07 0.00 0.10 0.00 0.00 34.13 30.97 2cv4 s GLU 235 CO 0.65 0.19 1.30 0.21 0.02 0.00 0.00 175.26 177.63 2cv4 s LYS 236 N -0.50 4.37 0.55 1.61 2.20 -1.26 -4.96 119.74 121.75 2cv4 s LYS 236 Ca 0.47 1.93 -0.21 0.00 -0.36 0.00 0.00 55.97 57.80 2cv4 s LYS 236 Cb -0.28 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2cv4 s LYS 236 CO 0.34 -0.37 1.29 -1.25 -0.36 0.00 0.00 175.35 174.99 2cv4 s PRO 237 N 1.22 3.15 0.00 4.03 0.04 -1.26 -4.88 135.00 137.30 2cv4 s PRO 237 Ca 0.62 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.98 2cv4 s PRO 237 Cb -0.33 -2.18 0.70 0.00 0.04 0.00 0.00 34.50 32.73 2cv4 s PRO 237 CO 0.29 -1.13 1.53 0.00 0.04 0.00 0.00 177.00 177.74 2cv4 n ALA 238 N -1.13 3.20 -3.23 8.56 0.00 -1.26 -4.79 120.51 121.86 2cv4 n ALA 238 Ca 0.11 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.20 2cv4 n ALA 238 Cb 0.47 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.64 0.55 0.04 0.00 2.20 -1.26 -5.14 119.74 113.49 2cv4 s LYS 239 Ca 0.21 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.59 2cv4 s LYS 239 Cb 0.19 0.59 -0.05 0.00 -1.51 0.00 0.00 37.83 37.05 2cv4 s LYS 239 CO 0.57 -0.53 0.87 -0.51 -0.36 0.00 0.00 175.35 175.39 2cv4 s LEU 240 N 2.87 4.42 0.42 5.43 1.43 -1.26 -4.96 118.68 127.02 2cv4 s LEU 240 Ca 0.15 1.57 0.19 0.00 -1.03 0.00 0.00 54.13 55.01 2cv4 s LEU 240 Cb -0.14 -3.40 0.91 0.00 0.03 0.00 0.00 46.19 43.59 2cv4 s LEU 240 CO -0.20 -0.10 1.87 -0.07 0.23 0.00 0.00 176.35 178.08 2cv4 h LEU 241 N 6.09 0.00 -1.26 1.79 3.38 -2.01 -2.48 115.31 120.83 2cv4 h LEU 241 Ca -0.42 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2cv4 h LEU 241 Cb 1.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2cv4 h LEU 241 CO 0.73 0.30 0.55 0.22 0.09 0.00 0.00 178.44 180.32 2cv4 h TYR 242 N 0.00 0.90 0.00 1.13 3.20 -1.94 -3.49 116.97 116.76 2cv4 h TYR 242 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2cv4 h TYR 242 Cb 0.64 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2cv4 h TYR 242 CO 0.00 0.44 0.00 0.39 -1.64 0.00 0.00 178.16 177.35