#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 1.61 -0.29 0.55 0.00 -1.26 -5.01 107.32 102.93 2cv4 s GLY 3 Ca 0.00 -1.60 -0.20 0.00 0.00 0.00 0.00 44.72 42.91 2cv4 s GLY 3 CO 0.00 -1.08 0.98 -1.35 0.00 0.00 0.00 173.10 171.66 2cv4 s SER 4 N -3.25 -0.51 0.22 1.64 1.04 -1.26 -5.18 113.70 106.40 2cv4 s SER 4 Ca 0.32 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 2cv4 s SER 4 Cb 0.00 1.06 0.02 0.00 0.10 0.00 0.00 66.02 67.19 2cv4 s SER 4 CO 0.21 -0.15 0.52 -0.63 0.98 0.00 0.00 173.24 174.18 2cv4 s ILE 5 N 0.81 0.02 0.99 -1.02 1.09 -1.26 -4.07 121.20 117.75 2cv4 s ILE 5 Ca -0.03 -1.03 -0.12 0.00 -1.10 0.00 0.00 60.65 58.37 2cv4 s ILE 5 Cb -0.04 -1.83 0.13 0.00 -1.06 0.00 0.00 42.46 39.65 2cv4 s ILE 5 CO -0.11 -0.08 0.79 -2.65 -0.10 0.00 0.00 174.94 172.79 2cv4 n PRO 6 N -0.36 -0.82 -4.40 2.79 -0.02 -1.26 -5.02 135.00 125.91 2cv4 n PRO 6 Ca -0.07 -0.19 -0.27 0.00 -2.02 0.00 0.00 63.50 60.96 2cv4 n PRO 6 Cb 0.62 -2.12 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 2cv4 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cv4 s LEU 7 N -4.50 2.39 0.33 2.45 1.43 -1.26 -5.07 118.68 114.44 2cv4 s LEU 7 Ca 0.63 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 2cv4 s LEU 7 Cb -0.22 -1.13 -0.11 0.00 0.03 0.00 0.00 46.19 44.77 2cv4 s LEU 7 CO 0.63 0.12 1.44 -0.63 0.23 0.00 0.00 176.35 178.14 2cv4 s ILE 8 N -1.51 2.36 0.00 -0.59 1.01 -1.26 -1.19 121.20 120.02 2cv4 s ILE 8 Ca 0.17 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2cv4 s ILE 8 Cb -0.08 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2cv4 s ILE 8 CO 0.08 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2cv4 n GLY 9 N 1.15 3.35 3.86 6.18 0.00 -0.19 -5.01 105.19 114.54 2cv4 n GLY 9 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.77 2.15 0.12 1.61 2.02 -0.33 -4.76 118.70 118.75 2cv4 s GLU 10 Ca 0.00 0.34 -0.15 0.00 0.02 0.00 0.00 54.97 55.18 2cv4 s GLU 10 Cb 0.00 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.21 2cv4 s GLU 10 CO 0.00 -1.51 0.55 0.50 0.02 0.00 0.00 175.26 174.82 2cv4 s ARG 11 N -5.39 4.02 0.09 1.61 3.00 -1.26 -1.48 118.95 119.53 2cv4 s ARG 11 Ca 0.61 0.54 -0.31 0.00 -1.00 0.00 0.00 55.73 55.57 2cv4 s ARG 11 Cb -0.12 -3.01 -0.09 0.00 0.00 0.00 0.00 34.95 31.73 2cv4 s ARG 11 CO 0.51 0.52 1.67 0.12 0.00 0.00 0.00 175.30 178.12 2cv4 s PHE 12 N -1.37 2.46 0.08 5.12 2.19 0.21 -4.84 117.98 121.82 2cv4 s PHE 12 Ca 0.35 0.31 -0.37 0.00 0.33 0.00 0.00 56.93 57.55 2cv4 s PHE 12 Cb -0.16 -3.99 -0.17 0.00 -1.31 0.00 0.00 43.02 37.39 2cv4 s PHE 12 CO 0.19 -3.95 1.27 -2.30 1.83 0.00 0.00 175.22 172.26 2cv4 n PRO 13 N 5.41 0.93 -2.17 10.12 -0.02 -1.26 -4.40 135.00 143.62 2cv4 n PRO 13 Ca 0.16 0.34 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 2cv4 n PRO 13 Cb 0.40 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.30 3.87 -0.06 -0.52 2.12 -1.26 -4.41 118.70 118.74 2cv4 s GLU 14 Ca 0.84 1.95 -0.00 0.00 0.36 0.00 0.00 54.97 58.12 2cv4 s GLU 14 Cb -1.00 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 30.82 2cv4 s GLU 14 CO 0.49 -0.51 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.48 2cv4 s GLU 16 N -2.44 0.70 0.12 4.30 2.02 -1.26 -4.99 118.70 117.15 2cv4 s GLU 16 Ca 0.60 0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.71 2cv4 s GLU 16 Cb -0.33 -0.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 2cv4 s GLU 16 CO 0.41 -0.22 -0.26 0.14 0.02 0.00 0.00 175.26 175.36 2cv4 s VAL 17 N 1.56 2.13 -0.18 2.63 -7.23 -0.14 -4.94 120.40 114.22 2cv4 s VAL 17 Ca -0.01 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2cv4 s VAL 17 Cb -0.13 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2cv4 s VAL 17 CO -0.03 0.06 0.18 -0.89 -0.31 0.00 0.00 175.10 174.10 2cv4 s THR 18 N -1.08 5.38 0.38 5.32 2.01 -1.26 -0.16 115.64 126.23 2cv4 s THR 18 Ca 0.12 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.46 2cv4 s THR 18 Cb -0.10 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2cv4 s THR 18 CO 0.06 0.44 0.10 0.42 -0.69 0.00 0.00 174.62 174.94 2cv4 s THR 19 N 0.31 0.82 0.42 -0.82 -4.23 0.57 -1.27 115.64 111.45 2cv4 s THR 19 Ca 0.11 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2cv4 s THR 19 Cb -0.12 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.67 2cv4 s THR 19 CO 0.00 0.00 1.64 0.44 -0.54 0.00 0.00 174.62 176.16 2cv4 h ASP 20 N 1.90 0.30 -0.02 3.99 5.19 -1.56 -1.38 116.42 124.83 2cv4 h ASP 20 Ca -0.38 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2cv4 h ASP 20 Cb 1.26 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.90 2cv4 h ASP 20 CO 0.62 -0.17 -0.22 1.41 -3.12 0.00 0.00 179.24 177.75 2cv4 n HIS 21 N -4.77 0.00 0.00 4.55 8.25 -1.26 -4.98 115.22 117.01 2cv4 n HIS 21 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2cv4 n HIS 21 Cb 1.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.43 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 1.13 0.65 3.80 -1.41 0.00 -0.52 -5.06 105.19 103.79 2cv4 n GLY 22 Ca 0.08 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.90 4.41 0.00 1.61 1.01 -1.26 -0.31 120.40 124.96 2cv4 s VAL 23 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 61.98 63.49 2cv4 s VAL 23 Cb 0.00 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 2cv4 s VAL 23 CO 0.00 0.09 0.00 -0.63 0.00 0.00 0.00 175.10 174.56 2cv4 s ILE 24 N -1.67 0.03 -0.19 2.22 1.01 0.78 -4.93 121.20 118.45 2cv4 s ILE 24 Ca 0.49 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2cv4 s ILE 24 Cb -0.16 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 2cv4 s ILE 24 CO 0.21 -0.14 0.10 -0.75 0.00 0.00 0.00 174.94 174.36 2cv4 s LYS 25 N -0.41 4.11 -0.02 2.79 2.20 -1.26 -0.96 119.74 126.18 2cv4 s LYS 25 Ca -0.05 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 2cv4 s LYS 25 Cb -0.03 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2cv4 s LYS 25 CO -0.00 0.29 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.60 2cv4 s LEU 26 N 0.36 2.60 0.00 5.43 1.43 -1.26 -0.76 118.68 126.49 2cv4 s LEU 26 Ca 0.06 -0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.15 2cv4 s LEU 26 Cb -0.11 -1.52 1.08 0.00 0.03 0.00 0.00 46.19 45.67 2cv4 s LEU 26 CO -0.01 0.32 1.76 -0.81 0.23 0.00 0.00 176.35 177.84 2cv4 n PRO 27 N 2.13 1.45 -0.33 1.29 -0.04 -1.26 -4.05 135.00 134.19 2cv4 n PRO 27 Ca -0.17 -0.79 0.03 0.00 -0.04 0.00 0.00 63.50 62.53 2cv4 n PRO 27 Cb 0.52 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 2cv4 n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cv4 n ASP 28 N -0.09 -0.44 -0.35 3.54 9.92 -1.18 -0.92 116.55 127.03 2cv4 n ASP 28 Ca 0.18 1.55 0.29 0.00 -0.53 0.00 0.00 54.79 56.28 2cv4 n ASP 28 Cb 0.33 -0.42 0.60 0.00 -0.64 0.00 0.00 41.12 41.00 2cv4 n ASP 28 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2cv4 h HIS 29 N 0.00 0.45 0.03 1.24 2.76 -1.30 -0.18 115.15 118.15 2cv4 h HIS 29 Ca 0.38 0.02 -0.38 0.00 -2.20 0.00 0.00 60.37 58.18 2cv4 h HIS 29 Cb 0.60 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 2cv4 h HIS 29 CO -0.73 -0.01 -2.36 0.66 -1.30 0.00 0.00 177.93 174.19 2cv4 n TYR 30 N -4.51 0.31 -0.07 5.26 4.01 -0.10 -4.16 117.16 117.89 2cv4 n TYR 30 Ca 0.28 0.07 -0.07 0.00 -0.16 0.00 0.00 57.90 58.01 2cv4 n TYR 30 Cb 1.10 -1.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.02 0.74 0.00 -0.72 2.07 -0.94 -0.11 116.25 117.31 2cv4 h VAL 31 Ca -0.54 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2cv4 h VAL 31 Cb 1.94 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2cv4 h VAL 31 CO -0.04 0.00 0.09 0.77 0.02 0.00 0.00 177.57 178.41 2cv4 h SER 32 N 0.01 0.00 -0.14 0.57 4.64 -1.25 0.67 113.55 118.04 2cv4 h SER 32 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2cv4 h SER 32 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2cv4 h SER 32 CO -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 2cv4 n GLN 33 N -2.89 1.90 -1.61 4.77 6.02 -0.39 -4.96 117.38 120.21 2cv4 n GLN 33 Ca -0.02 -1.81 -0.08 0.00 -0.01 0.00 0.00 57.00 55.07 2cv4 n GLN 33 Cb 0.15 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 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 1.12 0.63 3.62 1.08 0.00 0.23 -5.01 105.19 106.85 2cv4 n GLY 34 Ca 0.13 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2cv4 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s LYS 35 N -3.40 2.64 0.65 1.61 1.02 -0.19 -4.86 119.74 117.21 2cv4 s LYS 35 Ca 0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.24 2cv4 s LYS 35 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 2cv4 s LYS 35 CO 0.00 0.62 1.00 -1.58 -0.92 0.00 0.00 175.35 174.46 2cv4 s TRP 36 N -1.00 3.25 -0.02 3.18 0.52 -0.74 -3.99 118.94 120.15 2cv4 s TRP 36 Ca 0.17 0.80 -0.14 0.00 0.02 0.00 0.00 56.10 56.95 2cv4 s TRP 36 Cb -0.11 -2.92 0.02 0.00 -1.15 0.00 0.00 33.47 29.31 2cv4 s TRP 36 CO 0.07 -1.03 0.30 -0.59 0.02 0.00 0.00 176.95 175.72 2cv4 s PHE 37 N -3.18 -0.17 -0.26 -1.98 -0.71 0.28 -1.05 117.98 110.90 2cv4 s PHE 37 Ca 0.56 0.26 -0.04 0.00 -1.04 0.00 0.00 56.93 56.68 2cv4 s PHE 37 Cb -0.11 0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 2cv4 s PHE 37 CO 0.48 -0.38 -0.01 0.08 -1.34 0.00 0.00 175.22 174.05 2cv4 s VAL 38 N -1.30 3.28 -0.18 -2.49 1.01 0.03 -0.27 120.40 120.48 2cv4 s VAL 38 Ca -0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 2cv4 s VAL 38 Cb -0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2cv4 s VAL 38 CO 0.04 0.16 0.07 -0.22 0.00 0.00 0.00 175.10 175.15 2cv4 s LEU 39 N 1.39 3.87 -0.00 3.92 0.20 -0.19 -1.68 118.68 126.19 2cv4 s LEU 39 Ca 0.01 0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.95 2cv4 s LEU 39 Cb -0.17 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.61 2cv4 s LEU 39 CO -0.02 0.18 -0.06 0.72 -0.29 0.00 0.00 176.35 176.87 2cv4 s PHE 40 N 0.36 0.56 0.27 5.38 -0.12 -0.83 -0.42 117.98 123.19 2cv4 s PHE 40 Ca 0.04 -0.11 0.08 0.00 -0.05 0.00 0.00 56.93 56.89 2cv4 s PHE 40 Cb -0.12 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.87 2cv4 s PHE 40 CO -0.00 -0.01 0.11 -1.54 -0.05 0.00 0.00 175.22 173.73 2cv4 s SER 41 N -0.15 4.98 -0.16 1.98 1.04 -0.45 -1.15 113.70 119.78 2cv4 s SER 41 Ca 0.02 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 2cv4 s SER 41 Cb -0.02 -1.05 0.04 0.00 0.10 0.00 0.00 66.02 65.09 2cv4 s SER 41 CO -0.00 -0.08 0.43 -1.38 0.98 0.00 0.00 173.24 173.19 2cv4 s HIS 42 N -2.26 -0.49 0.28 5.02 -3.43 0.78 -3.98 115.29 111.20 2cv4 s HIS 42 Ca 0.33 1.17 0.01 0.00 -0.80 0.00 0.00 55.06 55.77 2cv4 s HIS 42 Cb -0.06 0.17 0.59 0.00 -1.43 0.00 0.00 32.58 31.85 2cv4 s HIS 42 CO 0.23 -0.24 1.78 -1.00 -2.00 0.00 0.00 174.74 173.50 2cv4 h PRO 43 N 5.64 0.69 -1.67 -0.38 0.13 -1.76 -3.38 132.00 131.28 2cv4 h PRO 43 Ca -0.28 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2cv4 h PRO 43 Cb 1.18 -0.16 -0.22 0.00 0.13 0.00 0.00 31.00 31.93 2cv4 h PRO 43 CO 0.24 0.46 0.45 0.00 -0.23 0.00 0.00 178.00 178.92 2cv4 s ALA 44 N -5.94 -1.90 0.83 -0.56 0.00 -1.26 -4.31 121.76 108.62 2cv4 s ALA 44 Ca -0.12 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2cv4 s ALA 44 Cb 0.23 -0.66 0.09 0.00 0.00 0.00 0.00 23.12 22.78 2cv4 s ALA 44 CO 0.79 -0.31 1.10 -0.51 0.00 0.00 0.00 175.76 176.82 2cv4 s ASP 45 N -0.93 3.99 -1.46 0.00 1.01 -1.26 -3.54 116.67 114.48 2cv4 s ASP 45 Ca -0.03 1.80 -0.09 0.00 0.71 0.00 0.00 52.55 54.93 2cv4 s ASP 45 Cb -0.01 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.51 2cv4 s ASP 45 CO 0.02 -2.36 0.85 0.49 0.21 0.00 0.00 175.17 174.39 2cv4 n PHE 46 N -3.73 -2.28 -5.08 4.23 3.01 -1.26 -5.00 117.46 107.35 2cv4 n PHE 46 Ca 0.09 0.76 -0.30 0.00 1.01 0.00 0.00 57.45 59.00 2cv4 n PHE 46 Cb 0.53 -4.23 -0.15 0.00 -0.01 0.00 0.00 39.48 35.62 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 -3.21 2.07 0.02 4.37 -4.23 -1.23 -5.07 115.64 108.36 2cv4 s THR 47 Ca 0.50 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.72 2cv4 s THR 47 Cb -0.24 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 2cv4 s THR 47 CO 0.62 0.46 1.08 -0.65 -0.54 0.00 0.00 174.62 175.59 2cv4 h PRO 48 N 5.13 -0.08 -1.42 3.99 0.11 -1.94 -0.98 132.00 136.80 2cv4 h PRO 48 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2cv4 h PRO 48 Cb 1.13 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2cv4 h PRO 48 CO 0.45 -0.05 0.00 0.28 -0.21 0.00 0.00 178.00 178.47 2cv4 n VAL 49 N -2.95 0.00 0.00 3.15 0.31 -1.26 -1.70 118.33 115.87 2cv4 n VAL 49 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2cv4 n VAL 49 Cb 0.05 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.80 0.00 -0.13 2.52 -1.04 -0.38 -1.64 114.28 114.41 2cv4 n THR 51 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2cv4 n THR 51 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 1.26 -0.29 12.58 1.35 -1.61 -2.08 112.91 124.11 2cv4 h THR 52 Ca 0.00 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 2cv4 h THR 52 Cb 0.00 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2cv4 h THR 52 CO 0.00 0.39 0.16 -0.33 -0.25 0.00 0.00 175.52 175.49 2cv4 h GLU 53 N 0.79 0.40 -0.10 4.72 5.08 -1.59 -1.21 114.58 122.68 2cv4 h GLU 53 Ca 0.14 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2cv4 h GLU 53 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2cv4 h GLU 53 CO 0.03 0.35 0.05 0.74 -1.00 0.00 0.00 179.01 179.18 2cv4 h PHE 54 N 0.35 0.09 -0.82 4.33 -1.00 -1.80 0.59 116.94 118.68 2cv4 h PHE 54 Ca 0.10 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.95 2cv4 h PHE 54 Cb 0.06 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.54 2cv4 h PHE 54 CO -0.03 0.05 0.50 0.28 -1.61 0.00 0.00 178.31 177.50 2cv4 h VAL 55 N 0.10 1.02 -0.10 -0.55 2.07 -1.27 0.11 116.25 117.63 2cv4 h VAL 55 Ca 0.04 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2cv4 h VAL 55 Cb 0.01 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2cv4 h VAL 55 CO -0.03 0.16 0.05 -1.28 0.02 0.00 0.00 177.57 176.50 2cv4 h SER 56 N 0.90 0.13 -0.84 0.57 0.87 -0.49 -0.09 113.55 114.60 2cv4 h SER 56 Ca 0.36 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 2cv4 h SER 56 Cb 0.19 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2cv4 h SER 56 CO -0.18 0.19 0.55 -0.26 -0.53 0.00 0.00 176.83 176.60 2cv4 h PHE 57 N 0.06 1.03 -0.64 2.24 0.04 -0.62 -1.95 116.94 117.10 2cv4 h PHE 57 Ca 0.04 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 2cv4 h PHE 57 Cb 0.09 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 2cv4 h PHE 57 CO -0.04 0.62 0.04 0.00 -0.60 0.00 0.00 178.31 178.33 2cv4 h ALA 58 N 1.34 0.86 -0.35 2.45 0.00 -0.56 -0.98 119.26 122.02 2cv4 h ALA 58 Ca 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2cv4 h ALA 58 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2cv4 h ALA 58 CO -0.10 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 2cv4 h ARG 59 N 1.02 0.58 -0.54 0.00 2.47 -0.78 -2.55 114.38 114.56 2cv4 h ARG 59 Ca 0.19 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2cv4 h ARG 59 Cb 0.52 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2cv4 h ARG 59 CO 0.02 0.63 0.00 0.54 0.56 0.00 0.00 179.97 181.73 2cv4 n ARG 60 N -4.23 2.38 -0.07 0.04 1.74 -0.76 -4.51 116.66 111.25 2cv4 n ARG 60 Ca 0.01 -1.55 -0.08 0.00 -0.77 0.00 0.00 57.85 55.46 2cv4 n ARG 60 Cb 0.29 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 2.29 0.21 -0.70 -1.55 5.03 -0.76 -2.69 116.97 118.80 2cv4 h TYR 61 Ca 0.00 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.39 2cv4 h TYR 61 Cb 0.82 -0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.99 2cv4 h TYR 61 CO 0.39 0.11 0.38 0.93 -1.32 0.00 0.00 178.16 178.66 2cv4 h GLU 62 N 0.25 0.67 -0.85 1.82 4.39 -1.83 -0.69 114.58 118.34 2cv4 h GLU 62 Ca 0.11 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.82 2cv4 h GLU 62 Cb 0.05 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 2cv4 h GLU 62 CO -0.09 0.45 0.56 -0.44 -1.16 0.00 0.00 179.01 178.32 2cv4 h ASP 63 N 0.69 0.89 0.09 1.42 3.32 -1.82 0.72 116.42 121.74 2cv4 h ASP 63 Ca 0.32 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.15 2cv4 h ASP 63 Cb 0.23 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.58 2cv4 h ASP 63 CO -0.20 0.60 -0.82 -0.26 -1.72 0.00 0.00 179.24 176.84 2cv4 h PHE 64 N 1.03 0.82 0.00 4.55 0.04 -0.96 -3.08 116.94 119.34 2cv4 h PHE 64 Ca 0.35 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2cv4 h PHE 64 Cb 0.08 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.11 2cv4 h PHE 64 CO -0.00 1.19 0.00 -0.56 -0.60 0.00 0.00 178.31 178.34 2cv4 h GLN 65 N 0.38 0.00 -0.01 1.51 3.07 -0.80 0.32 115.11 119.57 2cv4 h GLN 65 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.59 2cv4 h GLN 65 Cb 1.44 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.99 2cv4 h GLN 65 CO 0.15 0.00 -0.42 0.00 0.09 0.00 0.00 178.83 178.66 2cv4 h ARG 66 N 0.00 0.02 -0.07 0.06 3.08 -0.78 -2.17 114.38 114.52 2cv4 h ARG 66 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2cv4 h ARG 66 Cb 0.74 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2cv4 h ARG 66 CO 0.00 0.43 0.00 1.28 -1.07 0.00 0.00 179.97 180.61 2cv4 n LEU 67 N -4.04 1.36 -2.17 3.04 4.77 -0.88 -4.92 117.00 114.16 2cv4 n LEU 67 Ca -0.02 -0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 2cv4 n LEU 67 Cb 0.45 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2cv4 n LEU 67 CO 0.40 0.25 0.12 0.61 -1.33 0.00 0.00 177.39 177.44 2cv4 n GLY 68 N 1.12 0.09 3.18 -0.72 0.00 -0.82 -4.89 105.19 103.16 2cv4 n GLY 68 Ca 0.18 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.13 1.58 0.34 1.61 1.01 0.05 -1.79 120.40 120.07 2cv4 s VAL 69 Ca 0.31 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2cv4 s VAL 69 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2cv4 s VAL 69 CO 0.38 0.45 0.22 -1.81 0.00 0.00 0.00 175.10 174.34 2cv4 s ASP 70 N -0.19 4.99 -0.04 3.32 1.01 -0.21 -3.63 116.67 121.91 2cv4 s ASP 70 Ca 0.01 -0.63 0.07 0.00 0.71 0.00 0.00 52.55 52.70 2cv4 s ASP 70 Cb -0.10 -0.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.96 2cv4 s ASP 70 CO 0.01 -0.33 -0.25 -0.76 0.21 0.00 0.00 175.17 174.05 2cv4 s LEU 71 N -3.93 2.06 -0.08 1.23 1.43 -1.26 -0.79 118.68 117.34 2cv4 s LEU 71 Ca 0.39 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2cv4 s LEU 71 Cb -0.04 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2cv4 s LEU 71 CO 0.25 0.27 0.17 -0.51 0.23 0.00 0.00 176.35 176.76 2cv4 s ILE 72 N -0.34 -0.16 0.69 -0.59 2.07 -0.68 -4.10 121.20 118.08 2cv4 s ILE 72 Ca 0.02 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.48 2cv4 s ILE 72 Cb -0.12 -0.30 0.09 0.00 0.13 0.00 0.00 42.46 42.27 2cv4 s ILE 72 CO 0.02 0.10 0.96 -0.83 -1.91 0.00 0.00 174.94 173.29 2cv4 s GLY 73 N 1.72 1.77 -0.23 1.50 0.00 0.06 -1.96 107.32 110.17 2cv4 s GLY 73 Ca -0.04 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 2cv4 s GLY 73 CO -0.06 -0.93 0.55 -2.27 0.00 0.00 0.00 173.10 170.38 2cv4 s LEU 74 N -5.12 -0.64 0.06 0.66 0.20 -0.30 -0.06 118.68 113.49 2cv4 s LEU 74 Ca 0.63 1.24 -0.03 0.00 0.69 0.00 0.00 54.13 56.66 2cv4 s LEU 74 Cb -0.08 1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 47.54 2cv4 s LEU 74 CO 0.43 -0.22 0.02 -0.55 -0.29 0.00 0.00 176.35 175.75 2cv4 s SER 75 N 1.83 0.40 0.00 3.68 0.15 -1.00 -0.16 113.70 118.60 2cv4 s SER 75 Ca -0.08 -0.90 0.26 0.00 0.70 0.00 0.00 55.95 55.93 2cv4 s SER 75 Cb -0.08 0.23 1.21 0.00 -1.71 0.00 0.00 66.02 65.67 2cv4 s SER 75 CO -0.16 -0.62 1.87 0.52 1.20 0.00 0.00 173.24 176.04 2cv4 n VAL 76 N 0.11 0.17 -1.85 4.45 0.31 -1.26 -0.49 118.33 119.78 2cv4 n VAL 76 Ca -0.15 0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 2cv4 n VAL 76 Cb 0.61 -0.60 0.06 0.00 -0.91 0.00 0.00 33.84 33.01 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 -2.84 5.13 0.69 4.52 1.01 -1.26 -2.27 116.67 121.65 2cv4 s ASP 77 Ca 0.17 1.07 -0.12 0.00 0.71 0.00 0.00 52.55 54.39 2cv4 s ASP 77 Cb 0.17 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.31 2cv4 s ASP 77 CO 0.45 -1.54 1.06 -0.94 0.21 0.00 0.00 175.17 174.42 2cv4 s SER 78 N -4.36 5.36 0.55 0.27 1.04 -1.26 -3.27 113.70 112.04 2cv4 s SER 78 Ca 0.59 1.67 0.24 0.00 0.48 0.00 0.00 55.95 58.93 2cv4 s SER 78 Cb -0.11 -2.50 1.56 0.00 0.10 0.00 0.00 66.02 65.06 2cv4 s SER 78 CO 0.51 -1.45 2.20 -0.37 0.98 0.00 0.00 173.24 175.11 2cv4 h VAL 79 N -0.57 0.74 -0.46 5.02 -1.51 -1.95 -1.90 116.25 115.61 2cv4 h VAL 79 Ca -0.44 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 2cv4 h VAL 79 Cb 1.21 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2cv4 h VAL 79 CO 0.56 0.01 0.23 -0.26 -1.23 0.00 0.00 177.57 176.88 2cv4 h PHE 80 N 0.00 0.67 -0.04 5.19 0.04 -1.99 0.44 116.94 121.25 2cv4 h PHE 80 Ca -0.00 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2cv4 h PHE 80 Cb 0.03 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 2cv4 h PHE 80 CO 0.00 0.53 0.01 0.77 -0.60 0.00 0.00 178.31 179.02 2cv4 h SER 81 N 0.61 0.05 -0.52 2.17 0.02 -1.75 -1.39 113.55 112.74 2cv4 h SER 81 Ca 0.16 -0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2cv4 h SER 81 Cb 0.11 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.54 2cv4 h SER 81 CO -0.02 0.25 -0.15 0.45 -1.14 0.00 0.00 176.83 176.22 2cv4 h HIS 82 N -0.14 -0.34 -0.41 3.45 3.86 -1.13 0.28 115.15 120.72 2cv4 h HIS 82 Ca 0.01 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2cv4 h HIS 82 Cb 0.22 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2cv4 h HIS 82 CO -0.00 -0.24 0.14 0.82 0.86 0.00 0.00 177.93 179.50 2cv4 h ILE 83 N -0.03 1.21 -0.30 2.45 2.04 -0.53 0.64 117.51 123.00 2cv4 h ILE 83 Ca 0.25 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 2cv4 h ILE 83 Cb 0.40 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2cv4 h ILE 83 CO -0.55 0.24 -0.06 0.11 0.00 0.00 0.00 178.15 177.89 2cv4 h LYS 84 N 0.51 0.47 -0.27 2.37 1.79 -0.45 0.09 116.57 121.08 2cv4 h LYS 84 Ca 0.13 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 2cv4 h LYS 84 Cb 0.24 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2cv4 h LYS 84 CO -0.01 0.55 -0.36 2.35 -1.08 0.00 0.00 179.45 180.90 2cv4 h TRP 85 N 0.45 0.88 -0.31 -1.35 7.01 -0.14 0.23 115.95 122.73 2cv4 h TRP 85 Ca 0.09 -0.29 -0.07 0.00 2.11 0.00 0.00 58.89 60.73 2cv4 h TRP 85 Cb 0.39 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 2cv4 h TRP 85 CO 0.01 1.06 -0.11 0.87 -2.79 0.00 0.00 178.44 177.48 2cv4 h LYS 86 N 0.46 0.53 -0.36 2.65 1.57 -0.57 -0.52 116.57 120.34 2cv4 h LYS 86 Ca 0.03 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 2cv4 h LYS 86 Cb 0.95 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2cv4 h LYS 86 CO 0.08 0.64 -0.31 1.49 -0.57 0.00 0.00 179.45 180.78 2cv4 h GLU 87 N 0.49 0.77 -0.44 3.15 4.81 -0.64 -1.67 114.58 121.06 2cv4 h GLU 87 Ca 0.09 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 2cv4 h GLU 87 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2cv4 h GLU 87 CO 0.03 0.98 -0.10 2.35 -0.73 0.00 0.00 179.01 181.54 2cv4 h TRP 88 N 0.65 0.94 -0.36 0.92 7.01 0.05 -1.31 115.95 123.86 2cv4 h TRP 88 Ca 0.07 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 2cv4 h TRP 88 Cb 0.84 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 2cv4 h TRP 88 CO 0.04 0.94 0.21 0.82 -2.79 0.00 0.00 178.44 177.66 2cv4 h ILE 89 N 0.67 1.13 -0.58 2.65 2.04 -0.97 0.96 117.51 123.42 2cv4 h ILE 89 Ca 0.11 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2cv4 h ILE 89 Cb 0.63 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2cv4 h ILE 89 CO 0.04 0.14 0.36 -0.08 0.00 0.00 0.00 178.15 178.61 2cv4 h GLU 90 N 0.46 0.79 -0.08 2.37 4.81 -1.23 0.27 114.58 121.97 2cv4 h GLU 90 Ca 0.13 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.06 2cv4 h GLU 90 Cb 0.04 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.26 2cv4 h GLU 90 CO -0.02 0.56 -0.88 -0.09 -0.73 0.00 0.00 179.01 177.85 2cv4 h ARG 91 N 0.79 0.68 0.00 1.92 2.43 -1.00 -1.91 114.38 117.29 2cv4 h ARG 91 Ca 0.21 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2cv4 h ARG 91 Cb -0.03 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2cv4 h ARG 91 CO -0.04 1.23 -1.27 0.72 -1.51 0.00 0.00 179.97 179.10 2cv4 n HIS 92 N -3.88 0.00 0.00 2.20 8.25 0.31 -4.48 115.22 117.64 2cv4 n HIS 92 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2cv4 n HIS 92 Cb 0.80 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -1.71 0.00 -1.04 1.59 5.41 0.91 -5.02 119.36 119.50 2cv4 n ILE 93 Ca 0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 62.75 63.44 2cv4 n ILE 93 Cb 0.40 0.82 -0.01 0.00 -0.71 0.00 0.00 39.64 40.14 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 1.55 0.48 3.08 7.39 0.00 -0.72 -5.00 105.19 111.97 2cv4 n GLY 94 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.05 1.33 -0.26 1.61 0.11 -1.25 -5.00 120.40 114.90 2cv4 s VAL 95 Ca 0.00 -0.61 -0.16 0.00 -2.93 0.00 0.00 61.98 58.28 2cv4 s VAL 95 Cb 0.00 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2cv4 s VAL 95 CO 0.00 0.40 0.42 -0.60 -3.33 0.00 0.00 175.10 171.98 2cv4 s ARG 96 N 0.46 4.05 -0.30 1.54 3.52 -1.26 -3.18 118.95 123.78 2cv4 s ARG 96 Ca -0.12 0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 2cv4 s ARG 96 Cb -0.15 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2cv4 s ARG 96 CO 0.04 -0.26 1.66 0.42 -0.81 0.00 0.00 175.30 176.35 2cv4 s ILE 97 N 2.03 3.64 -0.93 4.11 -1.09 -1.26 -4.87 121.20 122.82 2cv4 s ILE 97 Ca 0.17 0.68 0.27 0.00 -2.23 0.00 0.00 60.65 59.55 2cv4 s ILE 97 Cb -0.16 -3.77 0.18 0.00 -1.58 0.00 0.00 42.46 37.13 2cv4 s ILE 97 CO 0.09 -0.43 1.74 -0.81 -1.23 0.00 0.00 174.94 174.31 2cv4 n PRO 98 N 8.06 0.06 -4.00 2.79 -0.04 -1.26 -4.91 135.00 135.70 2cv4 n PRO 98 Ca 0.20 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 2cv4 n PRO 98 Cb 0.46 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2cv4 n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2cv4 s PHE 99 N -3.03 3.37 0.65 0.54 -0.71 -1.26 -5.10 117.98 112.44 2cv4 s PHE 99 Ca 0.12 0.03 -0.15 0.00 -1.04 0.00 0.00 56.93 55.89 2cv4 s PHE 99 Cb 0.17 -1.58 -0.01 0.00 -1.21 0.00 0.00 43.02 40.39 2cv4 s PHE 99 CO 0.60 0.50 1.10 -1.25 -1.34 0.00 0.00 175.22 174.82 2cv4 s PRO 100 N -3.48 2.91 -0.09 1.99 0.04 -1.26 -4.86 135.00 130.25 2cv4 s PRO 100 Ca 0.34 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2cv4 s PRO 100 Cb -0.10 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2cv4 s PRO 100 CO 0.27 -1.15 -0.11 0.42 0.04 0.00 0.00 177.00 176.47 2cv4 s ILE 101 N -2.39 1.16 0.13 0.56 1.01 -1.26 -0.76 121.20 119.64 2cv4 s ILE 101 Ca 0.66 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.56 2cv4 s ILE 101 Cb -0.19 -1.10 -0.08 0.00 0.01 0.00 0.00 42.46 41.11 2cv4 s ILE 101 CO 0.41 0.37 1.31 -0.63 0.00 0.00 0.00 174.94 176.40 2cv4 s ILE 102 N 1.08 3.47 -0.25 2.92 1.01 0.92 -1.30 121.20 129.04 2cv4 s ILE 102 Ca -0.06 1.11 -0.13 0.00 0.00 0.00 0.00 60.65 61.56 2cv4 s ILE 102 Cb -0.14 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2cv4 s ILE 102 CO -0.01 0.12 0.30 0.00 0.00 0.00 0.00 174.94 175.34 2cv4 s ALA 103 N 0.72 3.56 -0.54 9.38 0.00 -0.39 -2.37 121.76 132.12 2cv4 s ALA 103 Ca 0.60 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2cv4 s ALA 103 Cb -0.35 -2.57 0.33 0.00 0.00 0.00 0.00 23.12 20.53 2cv4 s ALA 103 CO 0.33 -0.48 0.87 -3.47 0.00 0.00 0.00 175.76 173.01 2cv4 n ASP 104 N 4.93 3.55 -0.39 0.00 2.03 0.36 -4.61 116.55 122.41 2cv4 n ASP 104 Ca -0.11 -3.50 0.34 0.00 0.52 0.00 0.00 54.79 52.04 2cv4 n ASP 104 Cb 0.51 -0.58 0.67 0.00 -0.72 0.00 0.00 41.12 41.00 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 3.12 0.13 0.00 -0.67 0.11 -1.60 -3.13 132.00 129.95 2cv4 h PRO 105 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2cv4 h PRO 105 Cb 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2cv4 h PRO 105 CO 0.75 0.09 0.00 1.04 -0.21 0.00 0.00 178.00 179.66 2cv4 n GLN 106 N -4.39 0.00 0.00 1.05 1.13 -1.26 -4.92 117.38 108.99 2cv4 n GLN 106 Ca 0.30 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2cv4 n GLN 106 Cb 1.27 -0.59 0.00 0.00 0.11 0.00 0.00 30.24 31.03 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 2.03 -0.15 0.33 1.08 0.00 -1.18 -5.03 105.19 102.27 2cv4 n GLY 107 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.32 -0.13 2.61 2.02 -1.94 1.86 112.91 117.64 2cv4 h THR 108 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2cv4 h THR 108 Cb 0.00 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2cv4 h THR 108 CO 0.00 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.41 2cv4 h VAL 109 N -0.45 1.31 -0.09 3.16 2.07 -1.96 -1.11 116.25 119.18 2cv4 h VAL 109 Ca 0.07 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.54 2cv4 h VAL 109 Cb 0.55 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2cv4 h VAL 109 CO -0.27 0.31 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 2cv4 h ALA 110 N 0.67 0.02 -0.63 1.67 0.00 -1.78 -1.59 119.26 117.62 2cv4 h ALA 110 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2cv4 h ALA 110 Cb 0.51 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2cv4 h ALA 110 CO 0.02 -0.52 0.36 0.00 0.00 0.00 0.00 179.25 179.11 2cv4 h ARG 111 N -0.06 0.67 0.00 0.00 3.08 0.29 0.59 114.38 118.96 2cv4 h ARG 111 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2cv4 h ARG 111 Cb 0.14 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2cv4 h ARG 111 CO -0.13 0.44 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.06 2cv4 h ARG 112 N 0.69 0.00 -0.30 0.04 9.65 -0.87 -1.50 114.38 122.09 2cv4 h ARG 112 Ca 0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2cv4 h ARG 112 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2cv4 h ARG 112 CO -0.15 0.07 0.00 1.28 2.80 0.00 0.00 179.97 183.97 2cv4 n LEU 113 N -3.92 3.29 -1.84 3.80 4.77 -0.63 -4.79 117.00 117.69 2cv4 n LEU 113 Ca -0.02 -1.35 -0.18 0.00 -0.03 0.00 0.00 56.01 54.43 2cv4 n LEU 113 Cb 0.16 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2cv4 n LEU 113 CO 0.30 0.67 -0.21 0.61 -1.33 0.00 0.00 177.39 177.44 2cv4 n GLY 114 N 1.46 0.34 0.55 -0.72 0.00 -0.50 -4.34 105.19 101.98 2cv4 n GLY 114 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.42 1.55 -4.20 0.99 4.77 0.08 -4.62 117.00 113.15 2cv4 n LEU 115 Ca -0.20 -0.78 -0.41 0.00 -0.03 0.00 0.00 56.01 54.59 2cv4 n LEU 115 Cb 0.64 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2cv4 n LEU 115 CO 0.26 0.33 0.21 -0.22 -1.33 0.00 0.00 177.39 176.64 2cv4 s LEU 116 N -0.97 5.94 0.00 2.23 2.96 -1.26 -1.24 118.68 126.33 2cv4 s LEU 116 Ca 0.16 -2.76 -0.03 0.00 -0.22 0.00 0.00 54.13 51.28 2cv4 s LEU 116 Cb 0.09 -2.02 0.12 0.00 0.50 0.00 0.00 46.19 44.89 2cv4 s LEU 116 CO 0.09 -0.47 0.80 1.41 -1.32 0.00 0.00 176.35 176.87 2cv4 n HIS 117 N 3.73 -3.28 0.20 5.38 8.25 -1.26 -5.01 115.22 123.23 2cv4 n HIS 117 Ca 0.10 -1.20 0.07 0.00 -0.26 0.00 0.00 57.72 56.43 2cv4 n HIS 117 Cb 0.42 -0.59 0.24 0.00 1.12 0.00 0.00 29.99 31.17 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 -3.10 2.77 0.88 -1.41 0.00 -1.26 -3.85 120.51 114.54 2cv4 n ALA 118 Ca -0.13 -1.00 0.13 0.00 0.00 0.00 0.00 53.44 52.43 2cv4 n ALA 118 Cb 0.44 -1.00 0.55 0.00 0.00 0.00 0.00 19.45 19.43 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 0.76 0.01 0.00 0.00 2.13 -1.26 -4.75 120.64 117.52 2cv4 n GLU 119 Ca 0.17 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2cv4 n GLU 119 Cb 0.58 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.77 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 -1.53 0.00 -4.76 4.31 7.64 -1.25 -5.13 113.62 112.91 2cv4 n SER 120 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 2cv4 n SER 120 Cb 0.31 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 2.12 0.52 -0.43 0.00 -1.26 -4.56 121.76 118.15 2cv4 s ALA 121 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2cv4 s ALA 121 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2cv4 s ALA 121 CO 0.00 -1.90 0.00 0.25 0.00 0.00 0.00 175.76 174.11 2cv4 n THR 122 N -3.61 -4.42 -1.96 0.00 -2.24 -1.26 -5.01 114.28 95.77 2cv4 n THR 122 Ca 0.09 2.03 0.00 0.00 -2.27 0.00 0.00 64.05 63.90 2cv4 n THR 122 Cb 0.53 -2.91 0.00 0.00 -2.10 0.00 0.00 70.33 65.85 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 -1.40 -4.41 -1.67 4.78 -0.00 -1.26 -4.98 115.22 106.28 2cv4 n HIS 123 Ca 0.00 2.65 -0.37 0.00 -0.00 0.00 0.00 57.72 60.00 2cv4 n HIS 123 Cb 0.14 -3.55 0.06 0.00 -0.00 0.00 0.00 29.99 26.64 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 1.68 4.36 -1.31 1.59 -1.04 -1.26 -4.74 114.28 113.57 2cv4 n THR 124 Ca 0.00 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.27 2cv4 n THR 124 Cb 0.00 -1.33 0.19 0.00 -1.82 0.00 0.00 70.33 67.37 2cv4 n THR 124 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2cv4 n VAL 125 N -1.84 0.00 -2.16 12.58 0.24 -0.37 -3.29 118.33 123.49 2cv4 n VAL 125 Ca 0.15 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 61.47 2cv4 n VAL 125 Cb 0.48 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 2cv4 n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2cv4 n ARG 126 N -3.83 4.55 -2.66 7.34 1.74 -1.23 -4.03 116.66 118.54 2cv4 n ARG 126 Ca 0.13 -3.66 -0.35 0.00 -0.77 0.00 0.00 57.85 53.19 2cv4 n ARG 126 Cb 0.48 -2.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.21 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 0.15 2.63 -0.07 -0.13 0.00 -1.26 -2.77 107.32 105.87 2cv4 s GLY 127 Ca 0.49 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2cv4 s GLY 127 CO -0.08 0.95 -0.05 0.14 0.00 0.00 0.00 173.10 174.07 2cv4 s VAL 128 N -1.83 0.69 -0.19 1.40 1.01 0.74 -1.34 120.40 120.88 2cv4 s VAL 128 Ca 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2cv4 s VAL 128 Cb -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2cv4 s VAL 128 CO 0.22 0.29 -0.12 -0.36 0.00 0.00 0.00 175.10 175.12 2cv4 s PHE 129 N 1.35 2.86 -0.24 5.22 0.40 0.44 -0.67 117.98 127.34 2cv4 s PHE 129 Ca -0.03 -1.24 -0.10 0.00 -0.60 0.00 0.00 56.93 54.96 2cv4 s PHE 129 Cb -0.14 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 2cv4 s PHE 129 CO -0.03 -0.64 0.14 0.42 0.70 0.00 0.00 175.22 175.81 2cv4 s ILE 130 N 1.30 5.14 -0.08 0.64 1.01 0.30 -1.02 121.20 128.49 2cv4 s ILE 130 Ca 0.04 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2cv4 s ILE 130 Cb -0.14 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2cv4 s ILE 130 CO -0.07 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.35 2cv4 s VAL 131 N 1.10 1.59 0.93 2.92 1.01 0.63 -0.86 120.40 127.72 2cv4 s VAL 131 Ca 0.07 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2cv4 s VAL 131 Cb -0.14 -1.40 0.18 0.00 0.00 0.00 0.00 36.38 35.02 2cv4 s VAL 131 CO 0.04 0.46 1.29 1.51 0.00 0.00 0.00 175.10 178.40 2cv4 s ASP 132 N 0.50 3.39 0.00 3.32 1.47 -0.42 -0.56 116.67 124.36 2cv4 s ASP 132 Ca -0.17 0.35 0.08 0.00 1.18 0.00 0.00 52.55 53.99 2cv4 s ASP 132 Cb -0.17 -0.48 0.36 0.00 -0.34 0.00 0.00 42.92 42.29 2cv4 s ASP 132 CO 0.06 -2.57 1.21 0.00 0.68 0.00 0.00 175.17 174.55 2cv4 n ALA 133 N -3.67 1.43 -0.32 2.11 0.00 -1.26 -1.09 120.51 117.71 2cv4 n ALA 133 Ca 0.14 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2cv4 n ALA 133 Cb 0.60 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.42 2.75 -1.00 0.00 1.74 -1.26 -4.51 116.66 112.96 2cv4 n ARG 134 Ca 0.03 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.56 2cv4 n ARG 134 Cb 0.08 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 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 1.45 0.42 3.77 -0.13 0.00 -0.25 -4.96 105.19 105.49 2cv4 n GLY 135 Ca 0.22 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 5.34 -0.10 1.61 1.01 -1.26 0.63 120.40 125.63 2cv4 s VAL 136 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2cv4 s VAL 136 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2cv4 s VAL 136 CO 0.00 0.46 1.41 -0.63 0.00 0.00 0.00 175.10 176.35 2cv4 s ILE 137 N 0.00 3.96 -0.05 2.22 1.01 -0.55 -1.30 121.20 126.49 2cv4 s ILE 137 Ca 0.15 1.20 0.19 0.00 0.00 0.00 0.00 60.65 62.19 2cv4 s ILE 137 Cb -0.13 -3.77 -0.30 0.00 0.01 0.00 0.00 42.46 38.27 2cv4 s ILE 137 CO 0.03 -0.09 0.38 0.54 0.00 0.00 0.00 174.94 175.80 2cv4 n ARG 138 N 6.55 0.66 -2.98 2.79 5.12 -0.04 -1.02 116.66 127.74 2cv4 n ARG 138 Ca 0.15 -0.15 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2cv4 n ARG 138 Cb 0.44 -1.47 0.01 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 -2.27 0.00 -3.65 0.55 -1.04 -1.23 -4.91 114.28 101.74 2cv4 n THR 139 Ca -0.08 -0.42 -0.01 0.00 -2.04 0.00 0.00 64.05 61.51 2cv4 n THR 139 Cb 0.61 0.53 -0.07 0.00 -1.82 0.00 0.00 70.33 69.58 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 -0.16 -0.42 -4.42 1.43 0.15 -0.54 118.68 114.71 2cv4 s LEU 141 Ca 0.14 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2cv4 s LEU 141 Cb -0.02 1.26 0.12 0.00 0.03 0.00 0.00 46.19 47.58 2cv4 s LEU 141 CO 0.04 -0.04 0.16 -0.31 0.23 0.00 0.00 176.35 176.42 2cv4 s TYR 142 N 0.66 3.31 0.36 0.29 2.02 -1.26 -0.19 117.35 122.55 2cv4 s TYR 142 Ca -0.02 -2.99 -0.03 0.00 -0.37 0.00 0.00 57.07 53.65 2cv4 s TYR 142 Cb -0.04 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2cv4 s TYR 142 CO -0.12 -0.84 0.61 0.71 -1.57 0.00 0.00 175.55 174.34 2cv4 s TYR 143 N 0.37 3.50 0.00 2.71 4.12 -1.11 -4.99 117.35 121.94 2cv4 s TYR 143 Ca 0.14 0.60 0.00 0.00 0.02 0.00 0.00 57.07 57.83 2cv4 s TYR 143 Cb -0.22 -2.09 0.00 0.00 -1.52 0.00 0.00 41.96 38.12 2cv4 s TYR 143 CO -0.05 0.04 0.00 -0.35 0.02 0.00 0.00 175.55 175.22 2cv4 n PRO 144 N -1.52 0.00 0.00 -1.71 -0.04 -1.26 -3.49 135.00 126.97 2cv4 n PRO 144 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2cv4 n PRO 144 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.83 0.54 0.00 -1.26 -4.67 120.64 111.41 2cv4 n GLU 146 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 2cv4 n GLU 146 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 2cv4 n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2cv4 s LEU 147 N 0.00 2.15 0.61 -1.84 1.98 -1.26 -5.09 118.68 115.23 2cv4 s LEU 147 Ca 0.00 -1.21 -0.19 0.00 -2.89 0.00 0.00 54.13 49.84 2cv4 s LEU 147 Cb 0.00 -0.94 -0.03 0.00 0.66 0.00 0.00 46.19 45.88 2cv4 s LEU 147 CO 0.00 -0.30 1.20 0.61 -1.89 0.00 0.00 176.35 175.97 2cv4 n GLY 148 N 4.81 0.32 3.83 7.98 0.00 -1.26 -4.94 105.19 115.93 2cv4 n GLY 148 Ca -0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.09 2.56 -0.53 1.61 0.52 -1.26 -5.02 118.95 113.75 2cv4 s ARG 149 Ca 0.79 0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 56.57 2cv4 s ARG 149 Cb -0.40 -1.97 0.13 0.00 0.52 0.00 0.00 34.95 33.23 2cv4 s ARG 149 CO 0.44 -1.30 0.44 -1.17 0.02 0.00 0.00 175.30 173.73 2cv4 s LEU 150 N -5.60 5.99 0.39 2.53 0.20 -1.26 -4.95 118.68 115.98 2cv4 s LEU 150 Ca 0.59 -1.91 0.07 0.00 0.69 0.00 0.00 54.13 53.56 2cv4 s LEU 150 Cb -0.13 -2.12 0.78 0.00 -0.43 0.00 0.00 46.19 44.29 2cv4 s LEU 150 CO 0.54 -0.76 1.99 0.58 -0.29 0.00 0.00 176.35 178.41 2cv4 h VAL 151 N 5.93 1.14 -0.31 1.68 2.07 -1.96 -2.21 116.25 122.58 2cv4 h VAL 151 Ca -0.23 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2cv4 h VAL 151 Cb 1.08 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2cv4 h VAL 151 CO 0.94 0.17 0.12 0.44 0.02 0.00 0.00 177.57 179.25 2cv4 h ASP 152 N 0.49 0.39 0.18 0.57 3.32 -1.92 -1.49 116.42 117.97 2cv4 h ASP 152 Ca 0.12 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2cv4 h ASP 152 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2cv4 h ASP 152 CO -0.01 0.37 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.48 2cv4 h GLU 153 N 0.44 0.21 -0.39 3.56 4.57 -1.74 -0.92 114.58 120.32 2cv4 h GLU 153 Ca 0.11 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2cv4 h GLU 153 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2cv4 h GLU 153 CO -0.01 0.51 -0.09 0.82 -1.18 0.00 0.00 179.01 179.06 2cv4 h ILE 154 N 0.19 1.27 -0.28 2.32 2.04 -1.28 -1.15 117.51 120.62 2cv4 h ILE 154 Ca 0.03 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.73 2cv4 h ILE 154 Cb 0.65 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2cv4 h ILE 154 CO 0.05 0.39 0.14 -0.07 0.00 0.00 0.00 178.15 178.66 2cv4 h LEU 155 N 0.56 0.21 -0.95 1.44 3.38 -1.09 -2.29 115.31 116.58 2cv4 h LEU 155 Ca 0.10 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2cv4 h LEU 155 Cb 0.61 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2cv4 h LEU 155 CO 0.04 0.16 0.60 -0.09 0.09 0.00 0.00 178.44 179.24 2cv4 h ARG 156 N 0.30 1.05 -0.06 1.13 2.43 -0.91 -0.87 114.38 117.44 2cv4 h ARG 156 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2cv4 h ARG 156 Cb 0.03 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2cv4 h ARG 156 CO -0.08 0.69 0.03 0.82 -1.51 0.00 0.00 179.97 179.93 2cv4 h ILE 157 N 1.08 1.09 -0.55 1.20 2.04 -0.95 0.37 117.51 121.79 2cv4 h ILE 157 Ca 0.42 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2cv4 h ILE 157 Cb 0.20 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2cv4 h ILE 157 CO -0.18 0.08 0.21 0.58 0.00 0.00 0.00 178.15 178.83 2cv4 h VAL 158 N -0.01 1.22 -0.21 1.67 2.07 -1.14 0.38 116.25 120.23 2cv4 h VAL 158 Ca 0.02 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2cv4 h VAL 158 Cb 0.10 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2cv4 h VAL 158 CO -0.00 0.27 0.13 0.50 0.02 0.00 0.00 177.57 178.48 2cv4 h LYS 159 N 0.75 0.29 -0.26 1.57 1.63 -1.12 -0.19 116.57 119.24 2cv4 h LYS 159 Ca 0.18 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 2cv4 h LYS 159 Cb 0.21 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2cv4 h LYS 159 CO -0.01 0.24 -0.34 0.00 -3.45 0.00 0.00 179.45 175.89 2cv4 h ALA 160 N 1.03 0.92 -0.37 5.00 0.00 -0.81 -2.10 119.26 122.93 2cv4 h ALA 160 Ca 0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2cv4 h ALA 160 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2cv4 h ALA 160 CO -0.01 0.62 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 2cv4 h LEU 161 N 0.48 0.70 -0.67 0.00 5.85 -0.72 -0.66 115.31 120.28 2cv4 h LEU 161 Ca 0.05 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2cv4 h LEU 161 Cb 0.82 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2cv4 h LEU 161 CO 0.07 0.88 0.41 0.11 -0.34 0.00 0.00 178.44 179.57 2cv4 h LYS 162 N 0.50 0.91 -0.05 1.25 1.57 -0.92 -0.71 116.57 119.12 2cv4 h LYS 162 Ca 0.10 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2cv4 h LYS 162 Cb 0.56 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2cv4 h LYS 162 CO 0.03 0.64 0.03 -0.07 -0.57 0.00 0.00 179.45 179.51 2cv4 h LEU 163 N 0.91 0.07 -1.02 2.94 3.38 -1.27 -0.60 115.31 119.72 2cv4 h LEU 163 Ca 0.24 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2cv4 h LEU 163 Cb -0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2cv4 h LEU 163 CO -0.05 0.14 0.64 1.23 0.09 0.00 0.00 178.44 180.49 2cv4 h GLY 164 N -0.01 1.55 0.69 0.83 0.00 -0.92 -0.44 103.07 104.77 2cv4 h GLY 164 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2cv4 h GLY 164 CO -0.00 0.29 -0.06 -0.55 0.00 0.00 0.00 176.54 176.22 2cv4 h ASP 165 N 1.13 -0.14 0.51 0.19 5.19 -0.76 -0.36 116.42 122.17 2cv4 h ASP 165 Ca 0.45 -0.25 -0.14 0.00 -0.62 0.00 0.00 57.03 56.47 2cv4 h ASP 165 Cb 0.25 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2cv4 h ASP 165 CO -0.19 0.18 -0.62 0.77 -3.12 0.00 0.00 179.24 176.26 2cv4 h SER 166 N -0.48 0.12 -0.22 6.45 4.64 -0.91 -3.05 113.55 120.10 2cv4 h SER 166 Ca -0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2cv4 h SER 166 Cb 0.39 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2cv4 h SER 166 CO 0.03 0.70 0.00 0.18 -0.87 0.00 0.00 176.83 176.87 2cv4 n LEU 167 N -3.83 3.20 -3.61 5.97 4.77 -0.19 -4.98 117.00 118.32 2cv4 n LEU 167 Ca -0.02 -1.24 -0.28 0.00 -0.03 0.00 0.00 56.01 54.44 2cv4 n LEU 167 Cb 0.62 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2cv4 n LEU 167 CO 0.43 0.62 -0.06 0.29 -1.33 0.00 0.00 177.39 177.34 2cv4 n LYS 168 N 1.40 -1.51 -4.08 3.23 5.02 -0.30 -5.01 118.16 116.90 2cv4 n LYS 168 Ca 0.17 0.53 -0.09 0.00 -2.02 0.00 0.00 58.31 56.90 2cv4 n LYS 168 Cb 0.60 -4.44 -0.10 0.00 -0.02 0.00 0.00 35.03 31.06 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 -5.72 0.59 0.20 1.97 1.81 -0.30 -4.66 118.95 112.83 2cv4 s ARG 169 Ca 0.46 -1.06 -0.00 0.00 -1.72 0.00 0.00 55.73 53.40 2cv4 s ARG 169 Cb -0.15 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 2cv4 s ARG 169 CO 0.84 -0.06 0.38 0.00 -0.68 0.00 0.00 175.30 175.78 2cv4 s ALA 170 N -3.03 3.85 -0.23 2.13 0.00 0.17 -4.43 121.76 120.21 2cv4 s ALA 170 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2cv4 s ALA 170 Cb 0.01 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 2cv4 s ALA 170 CO -0.06 0.45 0.03 0.08 0.00 0.00 0.00 175.76 176.26 2cv4 s VAL 171 N -1.85 4.07 0.89 0.00 1.01 -1.26 -0.37 120.40 122.89 2cv4 s VAL 171 Ca 0.38 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2cv4 s VAL 171 Cb -0.11 -2.88 0.13 0.00 0.00 0.00 0.00 36.38 33.52 2cv4 s VAL 171 CO 0.29 0.38 1.11 -2.16 0.00 0.00 0.00 175.10 174.72 2cv4 s PRO 172 N 1.44 1.22 0.51 2.72 0.04 -1.26 -4.94 135.00 134.73 2cv4 s PRO 172 Ca 0.05 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 2cv4 s PRO 172 Cb -0.15 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2cv4 s PRO 172 CO 0.02 -2.40 1.38 0.00 0.04 0.00 0.00 177.00 176.04 2cv4 n ALA 173 N -4.05 1.71 -1.37 8.56 0.00 -1.26 -2.53 120.51 121.58 2cv4 n ALA 173 Ca 0.10 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 2cv4 n ALA 173 Cb 0.53 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.69 -5.24 -4.76 0.00 8.00 -1.26 -4.12 116.55 108.48 2cv4 n ASP 174 Ca 0.09 0.31 -0.38 0.00 0.71 0.00 0.00 54.79 55.52 2cv4 n ASP 174 Cb 0.43 -3.86 0.02 0.00 -0.02 0.00 0.00 41.12 37.70 2cv4 n ASP 174 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2cv4 s TRP 175 N -2.23 2.49 -0.42 1.24 -0.00 -1.05 0.26 118.94 119.22 2cv4 s TRP 175 Ca 0.00 1.44 0.03 0.00 -0.00 0.00 0.00 56.10 57.57 2cv4 s TRP 175 Cb 0.00 -3.63 0.22 0.00 -0.00 0.00 0.00 33.47 30.06 2cv4 s TRP 175 CO 0.00 -2.38 1.10 -0.35 -0.00 0.00 0.00 176.95 175.32 2cv4 n PRO 176 N -0.90 1.74 -2.24 5.86 -0.04 -1.26 -4.92 135.00 133.24 2cv4 n PRO 176 Ca 0.10 -0.93 -0.24 0.00 -0.04 0.00 0.00 63.50 62.39 2cv4 n PRO 176 Cb 0.46 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.09 4.63 -4.76 3.54 3.02 0.14 -3.31 115.26 118.60 2cv4 n ASN 177 Ca 0.14 -3.65 -0.41 0.00 -0.03 0.00 0.00 54.58 50.63 2cv4 n ASN 177 Cb 0.72 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 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 -3.57 6.74 0.21 6.41 2.47 -0.61 -4.83 114.94 121.75 2cv4 s ASN 178 Ca 0.48 2.67 0.22 0.00 0.42 0.00 0.00 52.86 56.66 2cv4 s ASN 178 Cb 0.40 -2.64 0.92 0.00 -1.45 0.00 0.00 41.25 38.48 2cv4 s ASN 178 CO -0.05 -0.59 1.67 -0.62 -3.72 0.00 0.00 177.10 173.79 2cv4 n GLU 179 N 1.33 0.16 -0.13 0.43 1.02 -1.26 0.35 120.64 122.54 2cv4 n GLU 179 Ca 0.02 0.40 -0.28 0.00 -0.02 0.00 0.00 57.16 57.28 2cv4 n GLU 179 Cb 0.41 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 2cv4 n GLU 179 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2cv4 n ILE 180 N -2.11 1.48 -0.53 -3.67 5.41 -1.26 -4.75 119.36 113.94 2cv4 n ILE 180 Ca 0.02 -0.40 0.03 0.00 1.00 0.00 0.00 62.75 63.40 2cv4 n ILE 180 Cb 0.22 -1.81 0.04 0.00 -0.71 0.00 0.00 39.64 37.38 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 -4.09 1.11 0.00 1.39 -5.35 -1.24 -5.08 119.36 106.09 2cv4 n ILE 181 Ca -0.52 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 2cv4 n ILE 181 Cb 0.89 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 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 -0.70 0.86 1.04 3.28 0.00 0.16 0.06 105.19 109.89 2cv4 n GLY 182 Ca 0.05 0.67 0.12 0.00 0.00 0.00 0.00 46.02 46.86 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 2.37 -1.81 1.61 0.28 -1.21 -1.57 120.64 120.31 2cv4 n GLU 183 Ca 0.00 -2.09 -0.37 0.00 -0.16 0.00 0.00 57.16 54.54 2cv4 n GLU 183 Cb 0.00 -1.48 0.06 0.00 1.43 0.00 0.00 31.44 31.45 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 -1.70 2.84 0.06 -1.84 0.00 0.11 -4.87 107.32 101.92 2cv4 s GLY 184 Ca 0.33 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.28 2cv4 s GLY 184 CO 0.30 1.62 -0.04 1.08 0.00 0.00 0.00 173.10 176.06 2cv4 s LEU 185 N -4.18 3.32 -0.05 0.66 1.43 -0.05 -4.61 118.68 115.19 2cv4 s LEU 185 Ca 0.80 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 2cv4 s LEU 185 Cb -0.36 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2cv4 s LEU 185 CO 0.39 0.22 0.54 -0.63 0.23 0.00 0.00 176.35 177.10 2cv4 s ILE 186 N -1.18 5.03 -0.04 -0.59 1.01 0.51 -2.18 121.20 123.75 2cv4 s ILE 186 Ca 0.22 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.70 2cv4 s ILE 186 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2cv4 s ILE 186 CO 0.14 0.39 0.89 -0.69 0.00 0.00 0.00 174.94 175.67 2cv4 s VAL 187 N 0.08 4.91 0.11 2.92 1.01 -0.30 0.43 120.40 129.56 2cv4 s VAL 187 Ca 0.29 1.85 -0.36 0.00 0.00 0.00 0.00 61.98 63.76 2cv4 s VAL 187 Cb -0.17 -4.23 -0.16 0.00 0.00 0.00 0.00 36.38 31.83 2cv4 s VAL 187 CO 0.14 0.16 1.41 -2.65 0.00 0.00 0.00 175.10 174.17 2cv4 n PRO 188 N 4.08 1.48 -1.78 2.72 -0.02 -1.26 -4.57 135.00 135.65 2cv4 n PRO 188 Ca 0.04 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2cv4 n PRO 188 Cb 0.51 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2cv4 n PRO 188 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2cv4 s PRO 189 N 0.59 3.44 0.50 0.52 0.04 -1.26 -4.97 135.00 133.86 2cv4 s PRO 189 Ca 0.82 2.35 -0.23 0.00 0.04 0.00 0.00 61.00 63.98 2cv4 s PRO 189 Cb -0.86 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2cv4 s PRO 189 CO 0.44 -0.99 1.35 -2.14 0.04 0.00 0.00 177.00 175.69 2cv4 s PRO 190 N -2.66 3.39 0.00 0.56 0.02 -1.26 -4.94 135.00 130.11 2cv4 s PRO 190 Ca 0.66 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.96 2cv4 s PRO 190 Cb -0.43 -2.40 0.11 0.00 0.02 0.00 0.00 34.50 31.80 2cv4 s PRO 190 CO 0.53 -0.99 0.89 0.25 -0.33 0.00 0.00 177.00 177.35 2cv4 n THR 191 N -0.70 0.41 -4.13 0.99 -2.24 -1.26 -4.89 114.28 102.46 2cv4 n THR 191 Ca 0.08 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2cv4 n THR 191 Cb 0.44 0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 2cv4 n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cv4 s THR 192 N -0.74 0.59 0.23 4.28 -4.23 -1.26 -5.05 115.64 109.47 2cv4 s THR 192 Ca 0.10 -1.67 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2cv4 s THR 192 Cb 0.06 -1.35 0.21 0.00 1.34 0.00 0.00 72.50 72.76 2cv4 s THR 192 CO 0.09 -0.75 1.88 -0.33 -0.54 0.00 0.00 174.62 174.97 2cv4 h GLU 193 N 3.42 1.07 -0.08 3.99 5.08 -1.99 -1.69 114.58 124.39 2cv4 h GLU 193 Ca -0.35 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2cv4 h GLU 193 Cb 1.17 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2cv4 h GLU 193 CO 0.58 0.71 0.04 -0.44 -1.00 0.00 0.00 179.01 178.90 2cv4 h ASP 194 N 1.11 0.10 -0.87 1.42 3.32 -1.99 -1.32 116.42 118.19 2cv4 h ASP 194 Ca 0.34 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.38 2cv4 h ASP 194 Cb -0.02 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 2cv4 h ASP 194 CO -0.11 0.17 0.52 1.56 -1.72 0.00 0.00 179.24 179.67 2cv4 h GLN 195 N 0.02 0.87 -0.48 3.56 4.20 -1.92 -0.37 115.11 120.98 2cv4 h GLN 195 Ca 0.03 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2cv4 h GLN 195 Cb 0.10 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2cv4 h GLN 195 CO -0.00 0.58 -0.14 0.00 -0.67 0.00 0.00 178.83 178.59 2cv4 h ALA 196 N 1.45 0.84 -0.38 3.87 0.00 -1.07 -0.62 119.26 123.35 2cv4 h ALA 196 Ca 0.41 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2cv4 h ALA 196 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2cv4 h ALA 196 CO -0.22 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.49 2cv4 h ARG 197 N 0.81 0.72 -0.13 0.00 3.08 -0.37 -3.10 114.38 115.39 2cv4 h ARG 197 Ca 0.12 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 2cv4 h ARG 197 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2cv4 h ARG 197 CO 0.05 0.86 -0.63 0.00 -1.07 0.00 0.00 179.97 179.18 2cv4 h ALA 198 N 1.15 0.66 0.00 0.04 0.00 -0.75 -3.38 119.26 116.98 2cv4 h ALA 198 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2cv4 h ALA 198 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2cv4 h ALA 198 CO 0.05 0.72 0.00 -2.13 0.00 0.00 0.00 179.25 177.88 2cv4 n ARG 199 N -3.91 0.23 -3.54 0.00 0.63 -0.27 -4.57 116.66 105.23 2cv4 n ARG 199 Ca -0.04 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.66 2cv4 n ARG 199 Cb 0.65 -1.39 0.01 0.00 0.45 0.00 0.00 32.46 32.18 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 1.72 -1.68 0.00 -0.14 2.13 -1.26 -4.78 120.64 116.63 2cv4 n GLU 201 Ca 0.00 1.15 0.00 0.00 0.66 0.00 0.00 57.16 58.97 2cv4 n GLU 201 Cb 0.11 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 28.81 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2cv4 n SER 202 N -1.68 0.00 -0.71 4.31 7.64 -1.26 -4.92 113.62 117.00 2cv4 n SER 202 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2cv4 n SER 202 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.00 0.40 0.23 0.00 -1.26 -3.51 105.19 101.05 2cv4 n GLY 203 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2cv4 n GLY 203 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2cv4 h GLN 204 N 0.32 -0.05 -2.66 1.61 -0.00 -1.91 -3.41 115.11 109.01 2cv4 h GLN 204 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 2cv4 h GLN 204 Cb 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 27.48 27.25 2cv4 h GLN 204 CO 0.00 -0.03 -0.20 1.52 0.00 0.00 0.00 178.83 180.12 2cv4 s TYR 205 N -5.72 -0.49 -0.07 3.99 -0.85 -1.23 -5.09 117.35 107.88 2cv4 s TYR 205 Ca -0.13 1.20 -0.17 0.00 -0.52 0.00 0.00 57.07 57.45 2cv4 s TYR 205 Cb 0.15 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.58 2cv4 s TYR 205 CO 0.66 -0.24 0.51 0.54 -1.52 0.00 0.00 175.55 175.50 2cv4 n ARG 206 N 2.90 0.00 -4.01 -3.49 1.74 -1.17 -4.46 116.66 108.17 2cv4 n ARG 206 Ca -0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 2cv4 n ARG 206 Cb 0.57 -0.61 -0.13 0.00 -1.02 0.00 0.00 32.46 31.27 2cv4 n ARG 206 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cv4 n LEU 208 N 2.63 0.18 -3.71 0.00 4.77 0.27 -5.00 117.00 116.14 2cv4 n LEU 208 Ca -0.15 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 2cv4 n LEU 208 Cb 0.58 0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2cv4 n LEU 208 CO 0.24 0.23 0.82 -0.62 -1.33 0.00 0.00 177.39 176.74 2cv4 s ASP 209 N -5.18 -0.14 0.59 -1.43 -1.08 -1.24 -4.99 116.67 103.20 2cv4 s ASP 209 Ca -0.08 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 51.92 2cv4 s ASP 209 Cb 0.10 0.39 1.71 0.00 -1.46 0.00 0.00 42.92 43.66 2cv4 s ASP 209 CO 0.86 -0.72 2.18 4.11 0.52 0.00 0.00 175.17 182.12 2cv4 h TRP 210 N 2.00 0.00 -0.01 -5.34 5.08 -1.94 -1.02 115.95 114.72 2cv4 h TRP 210 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2cv4 h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 2cv4 h TRP 210 CO 0.36 0.00 -0.31 -2.67 -1.28 0.00 0.00 178.44 174.54 2cv4 n TRP 211 N -3.87 0.00 -3.76 0.12 4.27 -1.26 -4.51 117.44 108.43 2cv4 n TRP 211 Ca -0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.32 2cv4 n TRP 211 Cb 0.20 -0.11 -0.12 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.52 2.62 0.12 -2.67 2.19 -0.39 -4.50 117.98 112.83 2cv4 s PHE 212 Ca 0.23 -2.88 0.08 0.00 0.33 0.00 0.00 56.93 54.69 2cv4 s PHE 212 Cb 0.19 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.71 2cv4 s PHE 212 CO 0.54 -0.69 -0.20 0.00 1.83 0.00 0.00 175.22 176.70 2cv4 s TRP 214 N -1.41 0.03 0.01 0.00 1.48 0.34 -1.15 118.94 118.24 2cv4 s TRP 214 Ca 0.09 -0.47 -0.00 0.00 -1.06 0.00 0.00 56.10 54.66 2cv4 s TRP 214 Cb -0.09 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 2cv4 s TRP 214 CO 0.05 -1.19 0.02 -0.40 -4.06 0.00 0.00 176.95 171.37 2cv4 n ASP 215 N -0.53 -0.06 -3.37 -2.66 5.75 -0.93 -3.02 116.55 111.74 2cv4 n ASP 215 Ca -0.03 -1.07 -0.26 0.00 -0.01 0.00 0.00 54.79 53.42 2cv4 n ASP 215 Cb 0.60 0.11 -0.08 0.00 -1.03 0.00 0.00 41.12 40.72 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 -0.02 0.11 1.35 2.12 -2.24 -1.26 -0.87 114.28 113.46 2cv4 n THR 216 Ca -0.00 -4.24 0.14 0.00 -2.27 0.00 0.00 64.05 57.68 2cv4 n THR 216 Cb 0.02 -1.94 0.54 0.00 -2.10 0.00 0.00 70.33 66.85 2cv4 n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2cv4 n PRO 217 N 1.68 0.71 -2.69 -0.78 -0.04 -1.26 -4.91 135.00 127.71 2cv4 n PRO 217 Ca 0.25 -0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 2cv4 n PRO 217 Cb 0.47 -1.49 -0.06 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 -2.50 3.25 0.67 0.55 0.00 -1.26 -5.01 121.76 117.47 2cv4 s ALA 218 Ca 0.27 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 2cv4 s ALA 218 Cb 0.20 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.10 2cv4 s ALA 218 CO 0.49 0.08 1.15 -1.54 0.00 0.00 0.00 175.76 175.94 2cv4 s SER 219 N -1.39 4.80 0.44 0.00 1.04 -1.26 -4.81 113.70 112.52 2cv4 s SER 219 Ca 0.48 2.17 0.11 0.00 0.48 0.00 0.00 55.95 59.19 2cv4 s SER 219 Cb -0.23 -2.57 0.99 0.00 0.10 0.00 0.00 66.02 64.31 2cv4 s SER 219 CO 0.29 -1.84 2.06 -0.09 0.98 0.00 0.00 173.24 174.63 2cv4 h ARG 220 N 0.03 0.40 -0.20 4.02 9.65 -1.98 -0.61 114.38 125.68 2cv4 h ARG 220 Ca -0.47 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.35 2cv4 h ARG 220 Cb 1.27 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2cv4 h ARG 220 CO 0.53 0.26 -0.01 -0.44 2.80 0.00 0.00 179.97 183.11 2cv4 h ASP 221 N 0.41 0.36 0.15 -3.80 3.32 -1.98 -1.41 116.42 113.47 2cv4 h ASP 221 Ca 0.16 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2cv4 h ASP 221 Cb 0.12 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2cv4 h ASP 221 CO -0.04 0.59 -0.11 0.44 -1.72 0.00 0.00 179.24 178.40 2cv4 h ASP 222 N 0.12 -0.29 0.52 6.45 3.32 -1.65 0.37 116.42 125.25 2cv4 h ASP 222 Ca 0.06 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2cv4 h ASP 222 Cb 0.41 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2cv4 h ASP 222 CO 0.01 -0.18 -0.51 0.58 -1.72 0.00 0.00 179.24 177.43 2cv4 h VAL 223 N -0.27 0.00 0.00 -1.35 2.07 -1.12 -2.34 116.25 113.24 2cv4 h VAL 223 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2cv4 h VAL 223 Cb 0.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2cv4 h VAL 223 CO -0.01 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.63 2cv4 h GLU 224 N -1.02 0.00 -0.28 1.57 4.11 -1.18 -0.46 114.58 117.32 2cv4 h GLU 224 Ca -0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.26 2cv4 h GLU 224 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2cv4 h GLU 224 CO -0.06 0.00 -0.28 1.49 0.07 0.00 0.00 179.01 180.23 2cv4 h GLU 225 N 0.00 0.56 -0.13 1.06 4.81 -0.01 -1.33 114.58 119.54 2cv4 h GLU 225 Ca 0.00 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 58.81 2cv4 h GLU 225 Cb 0.52 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2cv4 h GLU 225 CO 0.00 0.79 -0.67 0.00 -0.73 0.00 0.00 179.01 178.40 2cv4 h ALA 226 N 1.20 0.58 0.00 2.92 0.00 -0.60 -2.73 119.26 120.64 2cv4 h ALA 226 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2cv4 h ALA 226 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2cv4 h ALA 226 CO 0.06 0.72 -0.49 -0.09 0.00 0.00 0.00 179.25 179.45 2cv4 h ARG 227 N 0.38 0.00 -0.71 0.00 2.43 -1.07 -3.07 114.38 112.34 2cv4 h ARG 227 Ca -0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2cv4 h ARG 227 Cb 1.25 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 2cv4 h ARG 227 CO 0.12 0.49 0.21 -0.09 -1.51 0.00 0.00 179.97 179.20 2cv4 h ARG 228 N 0.00 1.09 -1.01 0.20 9.65 -0.93 0.33 114.38 123.72 2cv4 h ARG 228 Ca -0.00 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 58.69 2cv4 h ARG 228 Cb 0.96 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.31 2cv4 h ARG 228 CO 0.06 0.94 0.66 1.88 2.80 0.00 0.00 179.97 186.31 2cv4 h TYR 229 N 1.05 1.22 -0.07 2.20 0.05 -1.43 0.02 116.97 120.02 2cv4 h TYR 229 Ca 0.23 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.83 2cv4 h TYR 229 Cb 0.31 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2cv4 h TYR 229 CO 0.02 0.68 -0.82 -0.07 -1.05 0.00 0.00 178.16 176.92 2cv4 h LEU 230 N 1.23 0.65 0.20 3.88 4.07 -1.46 -2.51 115.31 121.36 2cv4 h LEU 230 Ca 0.42 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2cv4 h LEU 230 Cb 0.07 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2cv4 h LEU 230 CO -0.15 1.23 -0.09 -0.09 -1.08 0.00 0.00 178.44 178.26 2cv4 h ARG 231 N 0.34 -0.25 -0.96 1.13 2.43 -0.05 -1.76 114.38 115.26 2cv4 h ARG 231 Ca -0.06 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2cv4 h ARG 231 Cb 1.43 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.96 2cv4 h ARG 231 CO 0.15 -0.17 0.59 -0.09 -1.51 0.00 0.00 179.97 178.94 2cv4 h ARG 232 N -0.27 0.92 -0.42 0.20 2.43 -1.02 -0.77 114.38 115.46 2cv4 h ARG 232 Ca -0.03 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2cv4 h ARG 232 Cb 0.20 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2cv4 h ARG 232 CO 0.04 0.61 -0.16 0.00 -1.51 0.00 0.00 179.97 178.96 2cv4 h ALA 233 N 1.52 0.94 0.00 2.80 0.00 -1.10 -2.80 119.26 120.61 2cv4 h ALA 233 Ca 0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cv4 h ALA 233 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2cv4 h ALA 233 CO -0.26 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2cv4 h ALA 234 N 1.12 1.00 -2.53 0.00 0.00 -0.39 -3.46 119.26 115.00 2cv4 h ALA 234 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.50 2cv4 h ALA 234 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2cv4 h ALA 234 CO 0.05 0.00 0.37 -1.21 0.00 0.00 0.00 179.25 178.46 2cv4 s GLU 235 N -3.19 4.66 0.10 0.00 2.02 -0.39 -5.00 118.70 116.89 2cv4 s GLU 235 Ca 0.08 1.46 -0.31 0.00 0.02 0.00 0.00 54.97 56.23 2cv4 s GLU 235 Cb 0.10 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.87 2cv4 s GLU 235 CO 0.58 0.14 1.33 0.21 0.02 0.00 0.00 175.26 177.54 2cv4 s LYS 236 N 0.23 4.35 0.60 1.61 2.20 -1.26 -4.96 119.74 122.51 2cv4 s LYS 236 Ca 0.48 1.99 -0.20 0.00 -0.36 0.00 0.00 55.97 57.88 2cv4 s LYS 236 Cb -0.23 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2cv4 s LYS 236 CO 0.30 -0.38 1.33 -1.25 -0.36 0.00 0.00 175.35 174.99 2cv4 s PRO 237 N 1.08 2.82 -0.16 4.03 0.04 -1.26 -4.91 135.00 136.64 2cv4 s PRO 237 Ca 0.63 2.16 0.16 0.00 0.04 0.00 0.00 61.00 63.99 2cv4 s PRO 237 Cb -0.35 -2.04 0.63 0.00 0.04 0.00 0.00 34.50 32.78 2cv4 s PRO 237 CO 0.30 -1.42 1.54 0.00 0.04 0.00 0.00 177.00 177.46 2cv4 n ALA 238 N -1.49 3.17 0.10 8.56 0.00 -1.26 -4.77 120.51 124.82 2cv4 n ALA 238 Ca 0.13 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.66 2cv4 n ALA 238 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.29 0.00 -1.54 0.00 4.81 -1.26 -5.15 118.16 115.31 2cv4 n LYS 239 Ca 0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2cv4 n LYS 239 Cb 0.93 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.97 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 -3.07 -3.63 0.25 3.14 4.77 -1.26 -4.85 117.00 112.35 2cv4 n LEU 240 Ca 0.00 0.99 0.11 0.00 -0.03 0.00 0.00 56.01 57.08 2cv4 n LEU 240 Cb 0.00 -1.81 0.68 0.00 -2.33 0.00 0.00 43.42 39.96 2cv4 n LEU 240 CO 0.00 -1.11 0.95 -0.07 -1.33 0.00 0.00 177.39 175.83 2cv4 h LEU 241 N 1.51 0.00 -1.29 2.23 3.38 -2.01 -3.11 115.31 116.03 2cv4 h LEU 241 Ca -0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2cv4 h LEU 241 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2cv4 h LEU 241 CO 0.00 0.14 0.57 0.10 0.09 0.00 0.00 178.44 179.34 2cv4 h TYR 242 N 0.00 0.82 0.00 1.13 -0.00 -1.95 -3.49 116.97 113.47 2cv4 h TYR 242 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2cv4 h TYR 242 Cb 0.35 -0.26 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 2cv4 h TYR 242 CO 0.00 0.30 0.00 0.39 -0.00 0.00 0.00 178.16 178.85