#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 0.52 0.23 -1.23 0.00 -1.26 -5.16 107.32 100.43 2cv4 s GLY 3 Ca 0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.26 2cv4 s GLY 3 CO 0.00 -1.29 0.89 -1.35 0.00 0.00 0.00 173.10 171.35 2cv4 s SER 4 N -2.81 7.51 0.04 1.64 1.04 -1.26 -5.08 113.70 114.77 2cv4 s SER 4 Ca 0.06 1.83 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 2cv4 s SER 4 Cb 0.06 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 2cv4 s SER 4 CO -0.08 0.13 0.14 0.27 0.98 0.00 0.00 173.24 174.68 2cv4 s ILE 5 N -1.26 0.12 0.92 -1.02 -5.25 -1.26 -3.78 121.20 109.67 2cv4 s ILE 5 Ca 0.41 -0.99 -0.11 0.00 -0.99 0.00 0.00 60.65 58.97 2cv4 s ILE 5 Cb -0.24 -0.89 0.15 0.00 2.95 0.00 0.00 42.46 44.43 2cv4 s ILE 5 CO 0.29 -0.55 1.12 -2.84 -1.79 0.00 0.00 174.94 171.17 2cv4 s PRO 6 N -2.56 0.98 0.24 0.37 0.02 -1.26 -5.01 135.00 127.78 2cv4 s PRO 6 Ca -0.05 1.36 0.12 0.00 0.02 0.00 0.00 61.00 62.44 2cv4 s PRO 6 Cb -0.01 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 2cv4 s PRO 6 CO -0.04 -2.59 -0.21 -0.51 -0.33 0.00 0.00 177.00 173.31 2cv4 s LEU 7 N -6.55 2.54 0.18 -5.54 1.43 -1.26 -5.06 118.68 104.42 2cv4 s LEU 7 Ca 0.66 -0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 2cv4 s LEU 7 Cb -0.22 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 2cv4 s LEU 7 CO 0.58 0.07 1.54 -0.63 0.23 0.00 0.00 176.35 178.15 2cv4 s ILE 8 N -2.14 2.62 0.00 -0.59 1.01 -1.26 -1.70 121.20 119.15 2cv4 s ILE 8 Ca 0.26 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2cv4 s ILE 8 Cb -0.06 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2cv4 s ILE 8 CO 0.13 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2cv4 n GLY 9 N 3.40 2.02 3.83 6.18 0.00 -0.31 -5.03 105.19 115.27 2cv4 n GLY 9 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.36 0.29 1.61 2.02 -0.69 -4.68 118.70 120.61 2cv4 s GLU 10 Ca 0.00 1.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.71 2cv4 s GLU 10 Cb 0.00 -2.05 -0.09 0.00 0.10 0.00 0.00 34.13 32.09 2cv4 s GLU 10 CO 0.00 -0.76 1.06 0.50 0.02 0.00 0.00 175.26 176.08 2cv4 s ARG 11 N -4.55 4.62 0.15 1.61 3.00 -1.26 -1.38 118.95 121.14 2cv4 s ARG 11 Ca 0.60 1.71 -0.31 0.00 -1.00 0.00 0.00 55.73 56.72 2cv4 s ARG 11 Cb -0.13 -3.12 -0.10 0.00 0.00 0.00 0.00 34.95 31.59 2cv4 s ARG 11 CO 0.44 0.23 1.70 0.12 0.00 0.00 0.00 175.30 177.79 2cv4 s PHE 12 N -1.23 2.66 -0.02 5.12 2.19 0.13 -4.85 117.98 121.98 2cv4 s PHE 12 Ca 0.45 0.31 -0.39 0.00 0.33 0.00 0.00 56.93 57.64 2cv4 s PHE 12 Cb -0.30 -4.07 -0.18 0.00 -1.31 0.00 0.00 43.02 37.17 2cv4 s PHE 12 CO 0.38 -4.15 1.34 -2.30 1.83 0.00 0.00 175.22 172.31 2cv4 n PRO 13 N 4.71 0.78 -1.90 10.12 -0.02 -1.26 -4.48 135.00 142.96 2cv4 n PRO 13 Ca 0.16 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 2cv4 n PRO 13 Cb 0.38 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.89 2.90 -0.09 -0.52 2.12 -1.26 -4.40 118.70 118.34 2cv4 s GLU 14 Ca 0.89 1.56 0.04 0.00 0.36 0.00 0.00 54.97 57.83 2cv4 s GLU 14 Cb -1.08 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 2cv4 s GLU 14 CO 0.54 -1.20 -0.23 -1.21 -0.54 0.00 0.00 175.26 172.61 2cv4 s GLU 16 N -3.73 2.89 0.13 4.30 2.02 -1.26 -5.00 118.70 118.05 2cv4 s GLU 16 Ca 0.71 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.89 2cv4 s GLU 16 Cb -0.24 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2cv4 s GLU 16 CO 0.37 0.26 -0.14 0.14 0.02 0.00 0.00 175.26 175.91 2cv4 s VAL 17 N 0.15 1.34 -0.18 2.63 -7.23 0.11 -4.98 120.40 112.24 2cv4 s VAL 17 Ca -0.13 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 2cv4 s VAL 17 Cb -0.16 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2cv4 s VAL 17 CO 0.07 -0.48 0.09 -0.89 -0.31 0.00 0.00 175.10 173.58 2cv4 s THR 18 N -2.38 5.03 0.39 5.32 2.01 -1.26 -0.66 115.64 124.08 2cv4 s THR 18 Ca 0.11 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.20 2cv4 s THR 18 Cb -0.03 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2cv4 s THR 18 CO 0.03 0.46 0.05 0.42 -0.69 0.00 0.00 174.62 174.90 2cv4 s THR 19 N 0.30 1.22 -2.00 -0.82 -4.23 -0.10 -1.08 115.64 108.93 2cv4 s THR 19 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2cv4 s THR 19 Cb -0.12 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2cv4 s THR 19 CO -0.01 0.00 0.89 -0.90 -0.54 0.00 0.00 174.62 174.07 2cv4 n ASP 20 N -0.97 0.00 -0.01 3.99 5.68 -0.55 -1.88 116.55 122.80 2cv4 n ASP 20 Ca -0.06 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2cv4 n ASP 20 Cb 0.66 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2cv4 n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2cv4 n HIS 21 N -0.50 0.00 0.00 2.11 8.25 -1.26 -4.96 115.22 118.86 2cv4 n HIS 21 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2cv4 n HIS 21 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2cv4 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cv4 n GLY 22 N 0.76 0.90 3.75 -1.41 0.00 -0.79 -5.05 105.19 103.35 2cv4 n GLY 22 Ca 0.00 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.06 4.04 0.01 1.61 1.01 -1.26 -0.92 120.40 123.83 2cv4 s VAL 23 Ca 0.00 2.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 2cv4 s VAL 23 Cb 0.00 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2cv4 s VAL 23 CO 0.00 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 174.95 2cv4 s ILE 24 N -1.21 0.08 -0.15 2.22 1.01 0.16 -4.95 121.20 118.35 2cv4 s ILE 24 Ca 0.42 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2cv4 s ILE 24 Cb -0.26 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2cv4 s ILE 24 CO 0.32 -0.34 0.04 -0.75 0.00 0.00 0.00 174.94 174.21 2cv4 s LYS 25 N -1.04 3.69 -0.05 2.79 2.20 -1.26 0.06 119.74 126.13 2cv4 s LYS 25 Ca -0.11 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 2cv4 s LYS 25 Cb -0.07 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 2cv4 s LYS 25 CO -0.00 0.41 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.77 2cv4 s LEU 26 N -0.02 2.93 0.00 5.43 1.43 -1.26 -0.56 118.68 126.63 2cv4 s LEU 26 Ca 0.05 -0.12 0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2cv4 s LEU 26 Cb -0.12 -1.62 0.93 0.00 0.03 0.00 0.00 46.19 45.41 2cv4 s LEU 26 CO 0.01 0.35 1.68 -0.81 0.23 0.00 0.00 176.35 177.81 2cv4 n PRO 27 N 2.23 1.64 -0.32 1.29 -0.04 -1.26 -4.18 135.00 134.36 2cv4 n PRO 27 Ca -0.17 -1.01 0.21 0.00 -0.04 0.00 0.00 63.50 62.48 2cv4 n PRO 27 Cb 0.53 -1.48 0.41 0.00 -0.04 0.00 0.00 33.50 32.91 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 2.46 0.11 0.12 3.54 5.19 -1.95 0.89 116.42 126.78 2cv4 h ASP 28 Ca 0.00 0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 2cv4 h ASP 28 Cb 0.55 0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 2cv4 h ASP 28 CO 0.00 -0.26 -0.02 -0.74 -3.12 0.00 0.00 179.24 175.10 2cv4 h HIS 29 N 0.15 0.00 0.00 4.55 2.76 -1.18 -1.06 115.15 120.37 2cv4 h HIS 29 Ca 0.68 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.55 2cv4 h HIS 29 Cb 1.55 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.45 2cv4 h HIS 29 CO -0.19 0.02 -2.12 0.66 -1.30 0.00 0.00 177.93 175.01 2cv4 n TYR 30 N -3.53 0.00 0.19 5.26 4.01 0.16 -4.40 117.16 118.84 2cv4 n TYR 30 Ca -0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 2cv4 n TYR 30 Cb 0.12 -0.77 -0.07 0.00 -0.31 0.00 0.00 39.34 38.31 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 0.33 0.00 -0.72 2.07 -0.93 -0.98 116.25 116.02 2cv4 h VAL 31 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2cv4 h VAL 31 Cb 1.77 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2cv4 h VAL 31 CO -0.04 0.00 0.03 -1.54 0.02 0.00 0.00 177.57 176.04 2cv4 n SER 32 N -5.43 0.00 -0.24 0.57 3.41 -0.42 0.18 113.62 111.69 2cv4 n SER 32 Ca -0.09 0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.75 2cv4 n SER 32 Cb 0.33 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.13 1.95 -3.32 4.33 6.02 -0.47 -4.98 117.38 119.78 2cv4 n GLN 33 Ca 0.00 -0.64 -0.18 0.00 -0.01 0.00 0.00 57.00 56.17 2cv4 n GLN 33 Cb 0.03 -1.09 0.07 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.26 3.28 1.08 0.00 0.48 -5.01 105.19 105.61 2cv4 n GLY 34 Ca 0.04 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2cv4 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cv4 s LYS 35 N -5.72 1.53 0.43 1.61 1.02 -0.65 -4.92 119.74 113.03 2cv4 s LYS 35 Ca 0.30 -1.00 -0.09 0.00 0.02 0.00 0.00 55.97 55.20 2cv4 s LYS 35 Cb -0.13 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.46 2cv4 s LYS 35 CO 0.60 0.43 0.78 -1.58 -0.92 0.00 0.00 175.35 174.66 2cv4 s TRP 36 N -0.80 3.50 0.01 3.18 0.52 -0.92 -4.03 118.94 120.40 2cv4 s TRP 36 Ca 0.09 0.99 -0.01 0.00 0.02 0.00 0.00 56.10 57.19 2cv4 s TRP 36 Cb -0.09 -2.41 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 2cv4 s TRP 36 CO 0.02 -0.16 0.00 -0.59 0.02 0.00 0.00 176.95 176.24 2cv4 s PHE 37 N -2.47 0.14 -0.23 -1.98 -0.71 0.08 -0.07 117.98 112.73 2cv4 s PHE 37 Ca 0.50 -0.29 -0.05 0.00 -1.04 0.00 0.00 56.93 56.06 2cv4 s PHE 37 Cb -0.10 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 2cv4 s PHE 37 CO 0.35 -0.14 -0.01 0.08 -1.34 0.00 0.00 175.22 174.17 2cv4 s VAL 38 N -0.95 3.63 -0.29 -2.49 1.01 0.30 -0.75 120.40 120.85 2cv4 s VAL 38 Ca -0.10 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2cv4 s VAL 38 Cb -0.06 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2cv4 s VAL 38 CO -0.00 0.36 0.11 -0.22 0.00 0.00 0.00 175.10 175.35 2cv4 s LEU 39 N 1.51 3.89 0.06 3.92 0.20 -0.61 -1.34 118.68 126.31 2cv4 s LEU 39 Ca 0.05 -0.51 0.09 0.00 0.69 0.00 0.00 54.13 54.46 2cv4 s LEU 39 Cb -0.15 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 2cv4 s LEU 39 CO -0.01 -0.16 -0.23 0.72 -0.29 0.00 0.00 176.35 176.38 2cv4 s PHE 40 N 1.58 2.43 0.23 5.38 -0.12 -0.48 -0.72 117.98 126.29 2cv4 s PHE 40 Ca 0.04 -0.34 0.10 0.00 -0.05 0.00 0.00 56.93 56.69 2cv4 s PHE 40 Cb -0.17 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.79 2cv4 s PHE 40 CO 0.05 0.23 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.83 2cv4 s SER 41 N -1.52 4.24 -0.00 1.98 1.04 -0.06 -0.28 113.70 119.10 2cv4 s SER 41 Ca 0.14 -0.68 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 2cv4 s SER 41 Cb -0.10 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.33 2cv4 s SER 41 CO 0.05 0.05 0.01 -1.00 0.98 0.00 0.00 173.24 173.32 2cv4 s HIS 42 N -2.08 -0.00 0.20 5.02 3.76 0.19 -4.00 115.29 118.37 2cv4 s HIS 42 Ca 0.28 0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 55.12 2cv4 s HIS 42 Cb -0.07 -0.00 0.12 0.00 1.11 0.00 0.00 32.58 33.73 2cv4 s HIS 42 CO 0.17 -0.00 1.72 -1.00 -0.85 0.00 0.00 174.74 174.78 2cv4 h PRO 43 N 6.17 1.14 -1.86 8.40 0.13 -1.78 -3.36 132.00 140.84 2cv4 h PRO 43 Ca -0.25 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2cv4 h PRO 43 Cb 1.21 -0.15 -0.21 0.00 0.13 0.00 0.00 31.00 31.98 2cv4 h PRO 43 CO 0.51 0.99 0.29 0.00 -0.23 0.00 0.00 178.00 179.56 2cv4 s ALA 44 N -5.35 -1.83 0.78 -0.56 0.00 -1.26 -4.12 121.76 109.42 2cv4 s ALA 44 Ca -0.12 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 2cv4 s ALA 44 Cb 0.15 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.88 2cv4 s ALA 44 CO 0.85 -0.34 1.10 -0.51 0.00 0.00 0.00 175.76 176.85 2cv4 s ASP 45 N -0.84 4.40 -1.52 0.00 1.01 -1.26 -3.53 116.67 114.92 2cv4 s ASP 45 Ca -0.06 1.85 -0.05 0.00 0.71 0.00 0.00 52.55 55.00 2cv4 s ASP 45 Cb -0.01 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2cv4 s ASP 45 CO 0.05 -2.11 0.56 0.49 0.21 0.00 0.00 175.17 174.38 2cv4 n PHE 46 N -3.56 -1.91 -4.65 4.23 3.01 -1.26 -5.00 117.46 108.33 2cv4 n PHE 46 Ca 0.09 0.49 -0.31 0.00 1.01 0.00 0.00 57.45 58.74 2cv4 n PHE 46 Cb 0.53 -4.21 -0.13 0.00 -0.01 0.00 0.00 39.48 35.66 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 -3.13 2.77 0.03 4.37 -4.23 -1.23 -5.09 115.64 109.12 2cv4 s THR 47 Ca 0.30 -1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 59.36 2cv4 s THR 47 Cb -0.14 -2.17 -0.18 0.00 1.34 0.00 0.00 72.50 71.35 2cv4 s THR 47 CO 0.38 0.33 1.47 1.55 -0.54 0.00 0.00 174.62 177.81 2cv4 h PRO 48 N 4.51 -0.01 -0.52 3.99 0.13 -1.94 -1.83 132.00 136.32 2cv4 h PRO 48 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cv4 h PRO 48 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2cv4 h PRO 48 CO 0.47 0.26 0.00 0.28 -0.23 0.00 0.00 178.00 178.79 2cv4 n VAL 49 N -4.96 0.00 0.00 1.56 0.31 -1.26 -1.07 118.33 112.90 2cv4 n VAL 49 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2cv4 n VAL 49 Cb 0.16 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.60 0.00 0.11 2.52 -1.04 -0.69 -0.93 114.28 114.84 2cv4 n THR 51 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2cv4 n THR 51 Cb 0.00 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 68.87 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 1.20 -0.30 12.58 1.35 -1.39 -2.29 112.91 124.06 2cv4 h THR 52 Ca 0.00 -0.90 -0.10 0.00 -0.55 0.00 0.00 66.41 64.87 2cv4 h THR 52 Cb 0.00 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2cv4 h THR 52 CO 0.00 0.28 -0.20 -0.33 -0.25 0.00 0.00 175.52 175.02 2cv4 h GLU 53 N 0.24 0.67 -0.91 4.72 5.08 -1.29 -1.37 114.58 121.71 2cv4 h GLU 53 Ca 0.05 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2cv4 h GLU 53 Cb 0.44 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2cv4 h GLU 53 CO 0.03 0.91 0.60 0.74 -1.00 0.00 0.00 179.01 180.29 2cv4 h PHE 54 N 0.42 1.11 -0.24 4.33 -1.00 -1.76 0.28 116.94 120.08 2cv4 h PHE 54 Ca 0.06 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.77 2cv4 h PHE 54 Cb 0.74 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 2cv4 h PHE 54 CO 0.07 0.66 -0.25 0.28 -1.61 0.00 0.00 178.31 177.46 2cv4 h VAL 55 N 1.17 1.32 -0.45 -0.55 2.07 -1.37 0.15 116.25 118.58 2cv4 h VAL 55 Ca 0.35 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2cv4 h VAL 55 Cb -0.04 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2cv4 h VAL 55 CO -0.10 0.44 0.29 -1.28 0.02 0.00 0.00 177.57 176.95 2cv4 h SER 56 N 0.28 0.50 -0.85 0.57 0.87 -0.68 0.15 113.55 114.39 2cv4 h SER 56 Ca 0.04 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2cv4 h SER 56 Cb 0.81 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 2cv4 h SER 56 CO 0.06 0.36 0.42 -0.26 -0.53 0.00 0.00 176.83 176.88 2cv4 h PHE 57 N 0.59 1.22 -0.56 2.24 0.04 -0.28 -2.54 116.94 117.65 2cv4 h PHE 57 Ca 0.17 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 2cv4 h PHE 57 Cb -0.05 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.70 2cv4 h PHE 57 CO -0.05 0.88 0.12 0.00 -0.60 0.00 0.00 178.31 178.66 2cv4 h ALA 58 N 1.24 0.74 0.00 2.45 0.00 0.04 -1.35 119.26 122.38 2cv4 h ALA 58 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2cv4 h ALA 58 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2cv4 h ALA 58 CO -0.04 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 2cv4 h ARG 59 N 0.81 0.00 -0.47 0.00 2.47 -0.54 -2.56 114.38 114.09 2cv4 h ARG 59 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2cv4 h ARG 59 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2cv4 h ARG 59 CO 0.00 0.01 0.00 0.54 0.56 0.00 0.00 179.97 181.09 2cv4 n ARG 60 N -3.11 2.74 -0.26 0.04 1.74 -0.82 -4.63 116.66 112.36 2cv4 n ARG 60 Ca -0.00 -2.25 0.02 0.00 -0.77 0.00 0.00 57.85 54.85 2cv4 n ARG 60 Cb 0.26 -1.38 0.15 0.00 -1.02 0.00 0.00 32.46 30.47 2cv4 n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2cv4 h TYR 61 N 2.90 0.66 -0.55 -1.55 5.03 -0.84 -1.33 116.97 121.29 2cv4 h TYR 61 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 2cv4 h TYR 61 Cb 0.82 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.89 2cv4 h TYR 61 CO 0.31 0.23 0.23 0.93 -1.32 0.00 0.00 178.16 178.55 2cv4 h GLU 62 N 0.62 0.79 -0.35 1.82 4.39 -1.82 -0.02 114.58 120.00 2cv4 h GLU 62 Ca 0.37 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2cv4 h GLU 62 Cb 0.40 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2cv4 h GLU 62 CO -0.28 0.64 0.04 -0.44 -1.16 0.00 0.00 179.01 177.81 2cv4 h ASP 63 N 0.79 0.50 -0.09 1.42 3.32 -1.59 0.10 116.42 120.87 2cv4 h ASP 63 Ca 0.19 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 2cv4 h ASP 63 Cb 0.14 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2cv4 h ASP 63 CO -0.02 0.54 -0.85 -0.26 -1.72 0.00 0.00 179.24 176.93 2cv4 h PHE 64 N 0.52 1.04 -0.45 4.55 0.04 -0.77 -3.12 116.94 118.77 2cv4 h PHE 64 Ca 0.12 -0.49 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 2cv4 h PHE 64 Cb 0.28 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2cv4 h PHE 64 CO 0.01 1.32 0.23 1.96 -0.60 0.00 0.00 178.31 181.23 2cv4 h GLN 65 N 0.49 0.63 -1.08 1.51 1.08 -0.60 0.18 115.11 117.32 2cv4 h GLN 65 Ca -0.07 -0.09 0.30 0.00 -1.45 0.00 0.00 58.65 57.34 2cv4 h GLN 65 Cb 1.48 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 28.73 2cv4 h GLN 65 CO 0.17 0.53 0.74 0.00 -0.95 0.00 0.00 178.83 179.32 2cv4 h ARG 66 N 0.58 0.18 -0.02 1.46 3.08 -0.75 0.59 114.38 119.50 2cv4 h ARG 66 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2cv4 h ARG 66 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2cv4 h ARG 66 CO -0.02 0.12 -0.02 1.28 -1.07 0.00 0.00 179.97 180.25 2cv4 n LEU 67 N -4.40 1.66 -0.91 3.04 4.77 -0.79 -4.93 117.00 115.43 2cv4 n LEU 67 Ca 0.25 -0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 55.60 2cv4 n LEU 67 Cb 1.04 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2cv4 n LEU 67 CO 0.33 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 177.20 2cv4 n GLY 68 N 1.21 0.09 3.30 -0.72 0.00 0.21 -4.92 105.19 104.35 2cv4 n GLY 68 Ca 0.18 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2cv4 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cv4 s VAL 69 N -2.43 2.57 0.28 1.61 1.01 -0.02 -2.17 120.40 121.25 2cv4 s VAL 69 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2cv4 s VAL 69 Cb -0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2cv4 s VAL 69 CO 0.02 0.54 0.44 -1.81 0.00 0.00 0.00 175.10 174.29 2cv4 s ASP 70 N 0.36 6.31 0.04 3.32 1.01 0.90 -3.88 116.67 124.73 2cv4 s ASP 70 Ca -0.15 0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.42 2cv4 s ASP 70 Cb -0.17 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 2cv4 s ASP 70 CO 0.07 -0.16 -0.12 -0.76 0.21 0.00 0.00 175.17 174.41 2cv4 s LEU 71 N -4.07 2.91 -0.23 1.23 1.43 -1.26 -0.53 118.68 118.16 2cv4 s LEU 71 Ca 0.37 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2cv4 s LEU 71 Cb -0.09 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.52 2cv4 s LEU 71 CO 0.32 0.25 0.52 -0.51 0.23 0.00 0.00 176.35 177.16 2cv4 s ILE 72 N -1.01 -0.45 0.50 -0.59 2.07 -0.45 -4.33 121.20 116.94 2cv4 s ILE 72 Ca 0.17 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.53 2cv4 s ILE 72 Cb -0.11 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.72 2cv4 s ILE 72 CO 0.08 0.03 0.70 -0.83 -1.91 0.00 0.00 174.94 173.01 2cv4 s GLY 73 N 2.19 1.87 -0.05 1.50 0.00 -0.57 -1.38 107.32 110.89 2cv4 s GLY 73 Ca -0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 2cv4 s GLY 73 CO -0.15 -1.23 0.13 -2.27 0.00 0.00 0.00 173.10 169.58 2cv4 s LEU 74 N -4.61 1.46 0.06 0.66 0.20 0.62 0.15 118.68 117.21 2cv4 s LEU 74 Ca 0.57 0.26 -0.10 0.00 0.69 0.00 0.00 54.13 55.55 2cv4 s LEU 74 Cb -0.10 0.44 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 2cv4 s LEU 74 CO 0.36 -0.05 0.21 -0.55 -0.29 0.00 0.00 176.35 176.03 2cv4 s SER 75 N 0.14 0.04 0.43 3.68 0.15 -0.99 0.54 113.70 117.68 2cv4 s SER 75 Ca -0.01 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.44 2cv4 s SER 75 Cb -0.02 0.32 0.79 0.00 -1.71 0.00 0.00 66.02 65.40 2cv4 s SER 75 CO -0.00 -0.63 1.77 0.58 1.20 0.00 0.00 173.24 176.16 2cv4 h VAL 76 N 3.17 0.49 -3.42 4.45 2.07 -1.72 -0.89 116.25 120.40 2cv4 h VAL 76 Ca -0.33 -1.20 -0.44 0.00 0.82 0.00 0.00 66.70 65.55 2cv4 h VAL 76 Cb 1.20 1.86 0.20 0.00 -1.52 0.00 0.00 31.29 33.02 2cv4 h VAL 76 CO 0.50 0.21 0.06 -1.81 0.02 0.00 0.00 177.57 176.56 2cv4 s ASP 77 N -6.18 1.36 0.86 0.57 1.01 -1.26 -1.76 116.67 111.27 2cv4 s ASP 77 Ca 0.02 1.42 -0.13 0.00 0.71 0.00 0.00 52.55 54.58 2cv4 s ASP 77 Cb 0.09 -2.18 0.11 0.00 1.01 0.00 0.00 42.92 41.95 2cv4 s ASP 77 CO 0.65 -3.95 1.18 -0.94 0.21 0.00 0.00 175.17 172.31 2cv4 s SER 78 N -2.76 4.07 0.36 0.27 1.04 -1.26 -3.02 113.70 112.40 2cv4 s SER 78 Ca 0.68 0.78 0.12 0.00 0.48 0.00 0.00 55.95 58.01 2cv4 s SER 78 Cb -0.23 -1.24 0.69 0.00 0.10 0.00 0.00 66.02 65.33 2cv4 s SER 78 CO 0.63 -2.18 1.81 -0.37 0.98 0.00 0.00 173.24 174.11 2cv4 h VAL 79 N -1.25 1.28 -0.54 5.02 -1.51 -1.95 -2.28 116.25 115.02 2cv4 h VAL 79 Ca -0.47 -1.32 -0.12 0.00 -1.23 0.00 0.00 66.70 63.56 2cv4 h VAL 79 Cb 1.32 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 2cv4 h VAL 79 CO 0.62 0.38 -0.12 -0.26 -1.23 0.00 0.00 177.57 176.96 2cv4 h PHE 80 N 0.01 1.16 -0.31 5.19 0.04 -1.99 -0.51 116.94 120.54 2cv4 h PHE 80 Ca -0.00 -0.25 -0.13 0.00 2.80 0.00 0.00 57.97 60.39 2cv4 h PHE 80 Cb 0.68 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2cv4 h PHE 80 CO 0.00 1.08 -0.35 0.77 -0.60 0.00 0.00 178.31 179.20 2cv4 h SER 81 N 0.91 0.73 -0.08 2.17 0.02 -1.92 -1.78 113.55 113.60 2cv4 h SER 81 Ca 0.14 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2cv4 h SER 81 Cb 0.70 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2cv4 h SER 81 CO 0.05 1.01 0.04 0.45 -1.14 0.00 0.00 176.83 177.24 2cv4 h HIS 82 N 0.58 0.07 -0.61 3.45 3.86 -0.83 0.20 115.15 121.87 2cv4 h HIS 82 Ca 0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2cv4 h HIS 82 Cb 0.88 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 2cv4 h HIS 82 CO 0.04 0.04 0.25 0.82 0.86 0.00 0.00 177.93 179.94 2cv4 h ILE 83 N 0.08 1.23 -0.54 2.45 2.04 -1.04 0.10 117.51 121.83 2cv4 h ILE 83 Ca 0.03 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 2cv4 h ILE 83 Cb 0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2cv4 h ILE 83 CO -0.02 0.27 0.19 0.11 0.00 0.00 0.00 178.15 178.70 2cv4 h LYS 84 N 0.84 0.82 -0.42 2.37 1.79 -1.06 0.15 116.57 121.06 2cv4 h LYS 84 Ca 0.20 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2cv4 h LYS 84 Cb 0.19 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2cv4 h LYS 84 CO -0.02 0.74 0.18 2.35 -1.08 0.00 0.00 179.45 181.62 2cv4 h TRP 85 N 0.74 0.63 -0.60 -1.35 7.01 -0.38 0.86 115.95 122.86 2cv4 h TRP 85 Ca 0.18 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 2cv4 h TRP 85 Cb 0.25 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 2cv4 h TRP 85 CO 0.01 0.54 0.31 0.87 -2.79 0.00 0.00 178.44 177.38 2cv4 h LYS 86 N 0.54 0.84 -0.26 2.65 1.57 -0.68 -0.65 116.57 120.58 2cv4 h LYS 86 Ca 0.14 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2cv4 h LYS 86 Cb 0.17 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2cv4 h LYS 86 CO -0.01 0.66 0.07 1.49 -0.57 0.00 0.00 179.45 181.09 2cv4 h GLU 87 N 0.81 0.18 -0.84 3.15 4.81 -0.32 -0.86 114.58 121.50 2cv4 h GLU 87 Ca 0.21 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2cv4 h GLU 87 Cb 0.08 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2cv4 h GLU 87 CO -0.03 0.12 0.55 2.35 -0.73 0.00 0.00 179.01 181.27 2cv4 h TRP 88 N 0.18 0.98 -0.39 0.92 7.01 -0.24 0.40 115.95 124.81 2cv4 h TRP 88 Ca 0.12 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.02 2cv4 h TRP 88 Cb 0.10 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2cv4 h TRP 88 CO -0.14 0.55 -0.22 0.82 -2.79 0.00 0.00 178.44 176.66 2cv4 h ILE 89 N 1.00 1.28 -0.46 2.65 2.04 -0.44 0.54 117.51 124.11 2cv4 h ILE 89 Ca 0.35 -1.36 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 2cv4 h ILE 89 Cb 0.12 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2cv4 h ILE 89 CO -0.11 0.46 -0.04 -0.08 0.00 0.00 0.00 178.15 178.37 2cv4 h GLU 90 N 0.65 0.79 0.08 2.37 4.81 -0.64 0.83 114.58 123.47 2cv4 h GLU 90 Ca 0.08 -0.23 -0.26 0.00 -0.13 0.00 0.00 59.36 58.82 2cv4 h GLU 90 Cb 0.78 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2cv4 h GLU 90 CO 0.06 0.82 -1.26 -0.09 -0.73 0.00 0.00 179.01 177.81 2cv4 h ARG 91 N 0.73 0.18 0.00 1.92 2.43 -0.76 -2.85 114.38 116.02 2cv4 h ARG 91 Ca 0.14 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2cv4 h ARG 91 Cb 0.50 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2cv4 h ARG 91 CO 0.03 1.10 -1.97 0.72 -1.51 0.00 0.00 179.97 178.33 2cv4 n HIS 92 N -3.44 0.00 0.17 2.20 8.25 0.16 -4.51 115.22 118.05 2cv4 n HIS 92 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 2cv4 n HIS 92 Cb 1.01 -0.49 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2cv4 n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2cv4 n ILE 93 N -2.24 0.00 -1.03 1.59 5.41 0.27 -5.01 119.36 118.34 2cv4 n ILE 93 Ca -0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 62.75 63.42 2cv4 n ILE 93 Cb 0.56 0.73 -0.01 0.00 -0.71 0.00 0.00 39.64 40.22 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 1.56 0.50 3.01 7.39 0.00 -1.08 -5.01 105.19 111.56 2cv4 n GLY 94 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.02 1.05 0.05 1.61 0.11 -1.25 -5.00 120.40 114.95 2cv4 s VAL 95 Ca 0.00 -0.43 -0.20 0.00 -2.93 0.00 0.00 61.98 58.42 2cv4 s VAL 95 Cb 0.00 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 2cv4 s VAL 95 CO 0.00 0.33 0.58 -0.60 -3.33 0.00 0.00 175.10 172.09 2cv4 s ARG 96 N 0.68 4.26 -0.38 1.54 3.52 -1.26 -3.37 118.95 123.93 2cv4 s ARG 96 Ca -0.14 0.75 -0.24 0.00 -0.13 0.00 0.00 55.73 55.97 2cv4 s ARG 96 Cb -0.15 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2cv4 s ARG 96 CO 0.03 0.54 0.85 0.42 -0.81 0.00 0.00 175.30 176.33 2cv4 s ILE 97 N -0.76 4.65 -0.62 4.11 1.09 -1.26 -4.93 121.20 123.48 2cv4 s ILE 97 Ca 0.30 0.95 0.25 0.00 -1.10 0.00 0.00 60.65 61.05 2cv4 s ILE 97 Cb -0.19 -4.28 0.23 0.00 -1.06 0.00 0.00 42.46 37.16 2cv4 s ILE 97 CO 0.19 -0.53 1.60 1.55 -0.10 0.00 0.00 174.94 177.65 2cv4 h PRO 98 N 8.57 0.00 -6.20 2.79 0.13 -1.95 -3.47 132.00 131.87 2cv4 h PRO 98 Ca -0.24 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 2cv4 h PRO 98 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2cv4 h PRO 98 CO 0.95 0.00 -0.41 -0.59 -0.23 0.00 0.00 178.00 177.72 2cv4 s PHE 99 N -3.16 3.46 0.77 1.56 -0.71 -1.26 -5.09 117.98 113.55 2cv4 s PHE 99 Ca 0.08 0.02 -0.11 0.00 -1.04 0.00 0.00 56.93 55.88 2cv4 s PHE 99 Cb 0.11 -1.60 0.05 0.00 -1.21 0.00 0.00 43.02 40.37 2cv4 s PHE 99 CO 0.65 0.42 1.08 -1.25 -1.34 0.00 0.00 175.22 174.78 2cv4 s PRO 100 N -3.95 2.33 -0.05 1.99 0.04 -1.26 -4.91 135.00 129.19 2cv4 s PRO 100 Ca 0.34 0.93 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2cv4 s PRO 100 Cb -0.09 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2cv4 s PRO 100 CO 0.29 -1.52 -0.06 0.42 0.04 0.00 0.00 177.00 176.17 2cv4 s ILE 101 N -3.01 0.68 0.11 0.56 1.01 -1.26 -1.51 121.20 117.78 2cv4 s ILE 101 Ca 0.60 -0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 2cv4 s ILE 101 Cb -0.16 -0.69 -0.07 0.00 0.01 0.00 0.00 42.46 41.56 2cv4 s ILE 101 CO 0.55 0.26 1.27 -0.63 0.00 0.00 0.00 174.94 176.39 2cv4 s ILE 102 N 0.96 3.65 -0.29 2.92 1.01 0.12 -1.49 121.20 128.08 2cv4 s ILE 102 Ca -0.10 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.68 2cv4 s ILE 102 Cb -0.14 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2cv4 s ILE 102 CO 0.00 0.12 0.17 0.00 0.00 0.00 0.00 174.94 175.23 2cv4 s ALA 103 N 0.79 3.40 -0.60 9.38 0.00 -0.24 -2.35 121.76 132.14 2cv4 s ALA 103 Ca 0.59 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2cv4 s ALA 103 Cb -0.33 -2.42 0.33 0.00 0.00 0.00 0.00 23.12 20.70 2cv4 s ALA 103 CO 0.32 -0.71 0.94 -3.47 0.00 0.00 0.00 175.76 172.84 2cv4 n ASP 104 N 5.03 4.46 -0.33 0.00 2.03 -0.34 -4.59 116.55 122.80 2cv4 n ASP 104 Ca -0.14 -3.66 0.22 0.00 0.52 0.00 0.00 54.79 51.73 2cv4 n ASP 104 Cb 0.51 -0.59 0.42 0.00 -0.72 0.00 0.00 41.12 40.74 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 3.17 0.00 -5.28 -0.67 0.11 -1.47 -3.28 132.00 124.58 2cv4 h PRO 105 Ca 0.15 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.61 2cv4 h PRO 105 Cb 0.52 -0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.38 2cv4 h PRO 105 CO 0.83 0.00 -0.72 -0.65 -0.21 0.00 0.00 178.00 177.26 2cv4 s GLN 106 N -5.80 3.52 0.00 1.05 -1.52 -1.26 -4.89 119.66 110.75 2cv4 s GLN 106 Ca -0.11 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 52.69 2cv4 s GLN 106 Cb 0.31 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 2cv4 s GLN 106 CO 0.78 0.19 0.00 0.41 -0.25 0.00 0.00 175.29 176.42 2cv4 n GLY 107 N 3.64 0.15 0.42 3.09 0.00 -1.24 -4.00 105.19 107.26 2cv4 n GLY 107 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 1.12 0.12 -0.08 2.61 2.02 -1.92 1.56 112.91 118.35 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 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 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 -0.61 1.19 -0.83 3.16 2.07 -1.91 -1.75 116.25 117.56 2cv4 h VAL 109 Ca 0.04 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.07 2cv4 h VAL 109 Cb 0.68 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 2cv4 h VAL 109 CO -0.31 0.16 0.49 0.00 0.02 0.00 0.00 177.57 177.93 2cv4 h ALA 110 N 0.81 1.17 -0.25 1.67 0.00 -1.72 -1.94 119.26 119.00 2cv4 h ALA 110 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2cv4 h ALA 110 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2cv4 h ALA 110 CO 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 179.25 179.27 2cv4 h ARG 111 N 0.85 0.53 -0.36 0.00 3.08 0.24 0.41 114.38 119.13 2cv4 h ARG 111 Ca 0.39 -0.24 0.11 0.00 0.07 0.00 0.00 59.98 60.30 2cv4 h ARG 111 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2cv4 h ARG 111 CO -0.22 0.80 0.32 -0.09 -1.07 0.00 0.00 179.97 179.71 2cv4 h ARG 112 N 0.25 0.00 -0.53 0.04 9.65 -0.85 0.45 114.38 123.39 2cv4 h ARG 112 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2cv4 h ARG 112 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2cv4 h ARG 112 CO 0.04 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.09 2cv4 n LEU 113 N -4.04 3.61 -2.79 3.80 4.77 -0.77 -4.78 117.00 116.79 2cv4 n LEU 113 Ca 0.06 -1.76 -0.21 0.00 -0.03 0.00 0.00 56.01 54.07 2cv4 n LEU 113 Cb 0.49 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2cv4 n LEU 113 CO 0.31 0.85 -0.04 0.61 -1.33 0.00 0.00 177.39 177.80 2cv4 n GLY 114 N 1.46 -0.46 0.86 -0.72 0.00 0.15 -4.40 105.19 102.08 2cv4 n GLY 114 Ca 0.21 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.71 2.55 -4.30 0.99 4.77 0.14 -4.65 117.00 112.79 2cv4 n LEU 115 Ca -0.13 -1.17 -0.46 0.00 -0.03 0.00 0.00 56.01 54.23 2cv4 n LEU 115 Cb 0.62 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2cv4 n LEU 115 CO 0.43 0.58 0.32 -0.22 -1.33 0.00 0.00 177.39 177.17 2cv4 s LEU 116 N -1.32 6.47 0.00 2.23 2.96 -1.25 -1.44 118.68 126.32 2cv4 s LEU 116 Ca 0.35 -2.51 0.00 0.00 -0.22 0.00 0.00 54.13 51.75 2cv4 s LEU 116 Cb 0.19 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.71 2cv4 s LEU 116 CO 0.26 -0.61 0.00 1.41 -1.32 0.00 0.00 176.35 176.09 2cv4 n HIS 117 N 4.20 -3.07 -0.76 5.38 8.25 -1.26 -4.99 115.22 122.97 2cv4 n HIS 117 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 2cv4 n HIS 117 Cb 0.45 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.88 2cv4 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cv4 n ALA 118 N -3.00 3.18 0.56 -1.41 0.00 -1.26 -4.15 120.51 114.43 2cv4 n ALA 118 Ca 0.00 -1.84 0.13 0.00 0.00 0.00 0.00 53.44 51.73 2cv4 n ALA 118 Cb 0.00 -0.90 0.44 0.00 0.00 0.00 0.00 19.45 18.99 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 0.48 0.24 0.00 0.00 2.13 -1.26 -4.73 120.64 117.50 2cv4 n GLU 119 Ca 0.24 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2cv4 n GLU 119 Cb 0.93 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.81 2cv4 n GLU 119 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2cv4 n SER 120 N -2.25 0.00 -4.63 4.31 7.64 -1.26 -5.13 113.62 112.29 2cv4 n SER 120 Ca 0.04 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 2cv4 n SER 120 Cb 0.37 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2cv4 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cv4 n ALA 121 N 0.00 0.07 -1.50 -0.43 0.00 -1.26 -4.46 120.51 112.93 2cv4 n ALA 121 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.35 2cv4 n ALA 121 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 2cv4 n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cv4 n THR 122 N -2.28 -2.25 -2.08 0.00 -2.24 -1.26 -4.98 114.28 99.19 2cv4 n THR 122 Ca 0.14 1.20 -0.03 0.00 -2.27 0.00 0.00 64.05 63.09 2cv4 n THR 122 Cb 0.49 -1.98 -0.03 0.00 -2.10 0.00 0.00 70.33 66.71 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 -2.86 -2.50 -1.29 4.78 -0.00 -1.26 -4.99 115.22 107.11 2cv4 n HIS 123 Ca -0.02 1.46 -0.36 0.00 -0.00 0.00 0.00 57.72 58.81 2cv4 n HIS 123 Cb 0.46 -2.86 0.08 0.00 -0.00 0.00 0.00 29.99 27.68 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 0.95 2.22 -1.40 1.59 -1.04 -1.26 -4.77 114.28 110.57 2cv4 n THR 124 Ca -0.22 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.13 2cv4 n THR 124 Cb 0.35 -0.93 0.15 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.89 1.99 -1.51 12.58 1.01 -0.52 -3.32 120.40 128.74 2cv4 s VAL 125 Ca 0.69 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 2cv4 s VAL 125 Cb -0.34 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2cv4 s VAL 125 CO 0.54 0.00 2.67 0.54 0.00 0.00 0.00 175.10 178.85 2cv4 n ARG 126 N -3.95 3.85 -3.25 2.72 1.74 -1.24 -4.16 116.66 112.37 2cv4 n ARG 126 Ca 0.06 -2.66 -0.36 0.00 -0.77 0.00 0.00 57.85 54.12 2cv4 n ARG 126 Cb 0.59 -2.82 -0.06 0.00 -1.02 0.00 0.00 32.46 29.15 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 1.73 2.55 -0.09 -0.13 0.00 -1.26 -2.72 107.32 107.40 2cv4 s GLY 127 Ca 0.61 0.00 0.03 0.00 0.00 0.00 0.00 44.72 45.36 2cv4 s GLY 127 CO -0.07 0.33 -0.17 0.14 0.00 0.00 0.00 173.10 173.33 2cv4 s VAL 128 N -1.43 1.57 -0.17 1.40 1.01 0.10 -0.89 120.40 122.00 2cv4 s VAL 128 Ca 0.38 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2cv4 s VAL 128 Cb -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2cv4 s VAL 128 CO 0.20 0.45 -0.13 -0.36 0.00 0.00 0.00 175.10 175.26 2cv4 s PHE 129 N 0.67 2.83 -0.22 5.22 0.40 0.11 -1.11 117.98 125.88 2cv4 s PHE 129 Ca -0.13 -0.99 -0.08 0.00 -0.60 0.00 0.00 56.93 55.13 2cv4 s PHE 129 Cb -0.16 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2cv4 s PHE 129 CO 0.04 -0.46 0.09 0.42 0.70 0.00 0.00 175.22 176.00 2cv4 s ILE 130 N 0.91 4.77 -0.10 0.64 1.01 -0.03 -1.58 121.20 126.82 2cv4 s ILE 130 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2cv4 s ILE 130 Cb -0.15 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.13 2cv4 s ILE 130 CO -0.01 0.38 -0.16 -0.69 0.00 0.00 0.00 174.94 174.46 2cv4 s VAL 131 N 1.01 1.52 1.01 2.92 1.01 0.07 -0.96 120.40 126.98 2cv4 s VAL 131 Ca 0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2cv4 s VAL 131 Cb -0.14 -1.37 0.20 0.00 0.00 0.00 0.00 36.38 35.07 2cv4 s VAL 131 CO 0.03 0.44 1.20 1.51 0.00 0.00 0.00 175.10 178.28 2cv4 s ASP 132 N 0.82 2.62 0.00 3.32 1.47 -0.20 -0.74 116.67 123.96 2cv4 s ASP 132 Ca -0.10 0.61 0.08 0.00 1.18 0.00 0.00 52.55 54.32 2cv4 s ASP 132 Cb -0.16 -0.90 0.46 0.00 -0.34 0.00 0.00 42.92 41.98 2cv4 s ASP 132 CO 0.01 -3.07 0.87 0.00 0.68 0.00 0.00 175.17 173.66 2cv4 n ALA 133 N -4.05 1.92 -0.09 2.11 0.00 -1.26 -1.15 120.51 117.99 2cv4 n ALA 133 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2cv4 n ALA 133 Cb 0.59 -1.13 0.15 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.83 2.53 -0.86 0.00 1.74 -1.26 -4.64 116.66 113.35 2cv4 n ARG 134 Ca 0.06 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 55.15 2cv4 n ARG 134 Cb 0.03 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.66 0.54 3.78 -0.13 0.00 -0.30 -4.97 105.19 104.78 2cv4 n GLY 135 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 5.23 -0.21 1.61 1.01 -1.25 0.18 120.40 124.97 2cv4 s VAL 136 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2cv4 s VAL 136 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2cv4 s VAL 136 CO 0.00 0.47 1.43 -0.63 0.00 0.00 0.00 175.10 176.36 2cv4 s ILE 137 N -0.16 3.98 -0.05 2.22 1.01 -0.48 -1.03 121.20 126.68 2cv4 s ILE 137 Ca 0.20 1.14 0.17 0.00 0.00 0.00 0.00 60.65 62.15 2cv4 s ILE 137 Cb -0.14 -3.89 -0.25 0.00 0.01 0.00 0.00 42.46 38.19 2cv4 s ILE 137 CO 0.08 -0.27 0.31 0.54 0.00 0.00 0.00 174.94 175.59 2cv4 n ARG 138 N 7.19 0.70 -2.14 2.79 5.12 -0.13 -1.16 116.66 129.03 2cv4 n ARG 138 Ca 0.16 -0.13 -0.03 0.00 -1.93 0.00 0.00 57.85 55.92 2cv4 n ARG 138 Cb 0.45 -1.41 0.01 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.19 0.00 -3.65 0.55 -1.04 -1.17 -4.93 114.28 101.84 2cv4 n THR 139 Ca -0.08 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.05 61.56 2cv4 n THR 139 Cb 0.56 0.37 -0.07 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.01 -0.33 -4.42 1.43 -0.26 -0.85 118.68 114.24 2cv4 s LEU 141 Ca 0.07 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2cv4 s LEU 141 Cb -0.02 1.01 0.11 0.00 0.03 0.00 0.00 46.19 47.32 2cv4 s LEU 141 CO 0.04 -0.00 0.13 -0.31 0.23 0.00 0.00 176.35 176.44 2cv4 s TYR 142 N 0.08 1.45 0.26 0.29 2.02 -1.26 0.00 117.35 120.19 2cv4 s TYR 142 Ca 0.07 -1.68 -0.05 0.00 -0.37 0.00 0.00 57.07 55.03 2cv4 s TYR 142 Cb -0.05 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2cv4 s TYR 142 CO -0.16 -0.85 0.52 0.71 -1.57 0.00 0.00 175.55 174.19 2cv4 s TYR 143 N 1.49 3.47 0.00 2.71 4.12 -1.10 -5.01 117.35 123.03 2cv4 s TYR 143 Ca 0.11 0.62 0.00 0.00 0.02 0.00 0.00 57.07 57.83 2cv4 s TYR 143 Cb -0.18 -2.08 0.00 0.00 -1.52 0.00 0.00 41.96 38.17 2cv4 s TYR 143 CO -0.22 0.23 0.00 -0.35 0.02 0.00 0.00 175.55 175.23 2cv4 n PRO 144 N -0.73 0.00 0.00 -1.71 -0.04 -1.26 -3.73 135.00 127.53 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 0.54 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 -4.01 0.54 0.00 -1.26 -4.73 120.64 111.18 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 -0.16 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 2.48 0.61 -1.84 1.98 -1.26 -5.08 118.68 115.58 2cv4 s LEU 147 Ca 0.00 -0.98 -0.19 0.00 -2.89 0.00 0.00 54.13 50.07 2cv4 s LEU 147 Cb 0.00 -1.30 -0.02 0.00 0.66 0.00 0.00 46.19 45.53 2cv4 s LEU 147 CO 0.00 -0.15 1.30 -0.83 -1.89 0.00 0.00 176.35 174.78 2cv4 s GLY 148 N 1.34 2.85 0.82 7.98 0.00 -1.26 -4.91 107.32 114.14 2cv4 s GLY 148 Ca -0.02 1.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 2cv4 s GLY 148 CO -0.08 1.67 1.16 0.50 0.00 0.00 0.00 173.10 176.35 2cv4 s ARG 149 N -3.24 1.89 -0.86 2.90 0.52 -1.26 -5.00 118.95 113.89 2cv4 s ARG 149 Ca 0.79 0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 56.13 2cv4 s ARG 149 Cb -0.37 -1.93 0.22 0.00 0.52 0.00 0.00 34.95 33.38 2cv4 s ARG 149 CO 0.41 -1.66 0.76 -1.17 0.02 0.00 0.00 175.30 173.66 2cv4 s LEU 150 N -5.65 5.85 0.61 2.53 0.20 -1.26 -4.96 118.68 116.01 2cv4 s LEU 150 Ca 0.62 -3.31 0.28 0.00 0.69 0.00 0.00 54.13 52.41 2cv4 s LEU 150 Cb -0.12 -2.01 1.49 0.00 -0.43 0.00 0.00 46.19 45.12 2cv4 s LEU 150 CO 0.50 -0.32 1.88 0.58 -0.29 0.00 0.00 176.35 178.71 2cv4 h VAL 151 N 4.40 0.24 0.00 1.68 2.07 -1.96 0.25 116.25 122.93 2cv4 h VAL 151 Ca 0.11 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 2cv4 h VAL 151 Cb 0.90 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2cv4 h VAL 151 CO 0.83 0.00 -0.54 0.44 0.02 0.00 0.00 177.57 178.32 2cv4 h ASP 152 N 0.00 0.00 0.85 0.57 3.32 -1.92 -2.49 116.42 116.75 2cv4 h ASP 152 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2cv4 h ASP 152 Cb 1.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2cv4 h ASP 152 CO -0.00 0.54 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.71 2cv4 h GLU 153 N 0.00 0.00 -0.14 3.56 4.57 -0.84 -0.80 114.58 120.93 2cv4 h GLU 153 Ca -0.01 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 2cv4 h GLU 153 Cb 1.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2cv4 h GLU 153 CO 0.07 0.27 -0.60 0.82 -1.18 0.00 0.00 179.01 178.39 2cv4 h ILE 154 N 0.00 1.34 -0.49 2.32 2.04 -1.43 -0.70 117.51 120.60 2cv4 h ILE 154 Ca -0.00 -1.91 -0.12 0.00 1.00 0.00 0.00 64.86 63.83 2cv4 h ILE 154 Cb 0.77 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2cv4 h ILE 154 CO 0.04 0.58 -0.15 -0.07 0.00 0.00 0.00 178.15 178.54 2cv4 h LEU 155 N 0.34 0.98 -0.67 1.44 3.38 -1.06 -1.66 115.31 118.07 2cv4 h LEU 155 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2cv4 h LEU 155 Cb 1.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2cv4 h LEU 155 CO 0.11 1.13 0.33 -0.09 0.09 0.00 0.00 178.44 180.01 2cv4 h ARG 156 N 0.82 0.97 0.13 1.13 2.43 -0.84 -0.15 114.38 118.87 2cv4 h ARG 156 Ca 0.12 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2cv4 h ARG 156 Cb 0.72 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2cv4 h ARG 156 CO 0.06 0.76 -0.06 0.82 -1.51 0.00 0.00 179.97 180.03 2cv4 h ILE 157 N 0.93 0.93 -0.22 1.20 2.04 -0.99 -0.84 117.51 120.57 2cv4 h ILE 157 Ca 0.23 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2cv4 h ILE 157 Cb 0.11 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2cv4 h ILE 157 CO -0.03 0.06 0.13 0.58 0.00 0.00 0.00 178.15 178.89 2cv4 h VAL 158 N -0.30 1.02 0.04 1.67 2.07 -1.10 -1.36 116.25 118.29 2cv4 h VAL 158 Ca -0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2cv4 h VAL 158 Cb 0.24 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2cv4 h VAL 158 CO 0.03 0.05 -0.29 0.50 0.02 0.00 0.00 177.57 177.87 2cv4 h LYS 159 N 0.27 -0.45 -0.93 1.57 1.63 -0.94 -2.10 116.57 115.62 2cv4 h LYS 159 Ca 0.09 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2cv4 h LYS 159 Cb -0.00 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 2cv4 h LYS 159 CO -0.04 -0.30 0.62 0.00 -3.45 0.00 0.00 179.45 176.28 2cv4 h ALA 160 N 0.28 1.34 -0.45 5.00 0.00 -1.04 -1.51 119.26 122.87 2cv4 h ALA 160 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2cv4 h ALA 160 Cb 0.53 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2cv4 h ALA 160 CO -0.22 0.62 0.20 -0.07 0.00 0.00 0.00 179.25 179.77 2cv4 h LEU 161 N 1.26 0.60 -0.66 0.00 4.07 -1.04 0.29 115.31 119.84 2cv4 h LEU 161 Ca 0.34 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 58.02 2cv4 h LEU 161 Cb -0.15 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 2cv4 h LEU 161 CO -0.07 0.58 -0.32 0.11 -1.08 0.00 0.00 178.44 177.66 2cv4 h LYS 162 N 0.58 0.70 0.24 1.13 1.57 -1.10 -1.29 116.57 118.40 2cv4 h LYS 162 Ca 0.15 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2cv4 h LYS 162 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2cv4 h LYS 162 CO -0.02 0.92 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.60 2cv4 h LEU 163 N 0.59 -0.27 -0.66 2.94 3.38 -1.11 -0.97 115.31 119.21 2cv4 h LEU 163 Ca 0.07 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2cv4 h LEU 163 Cb 0.83 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2cv4 h LEU 163 CO 0.07 -0.09 0.28 1.23 0.09 0.00 0.00 178.44 180.01 2cv4 h GLY 164 N -0.44 0.96 0.92 0.83 0.00 -0.31 -1.35 103.07 103.68 2cv4 h GLY 164 Ca -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2cv4 h GLY 164 CO 0.05 -0.01 0.05 -0.55 0.00 0.00 0.00 176.54 176.09 2cv4 h ASP 165 N 0.47 0.13 -0.11 0.19 5.19 -1.13 0.26 116.42 121.42 2cv4 h ASP 165 Ca 0.33 -0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.47 2cv4 h ASP 165 Cb 0.41 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 2cv4 h ASP 165 CO -0.31 0.19 -0.56 0.77 -3.12 0.00 0.00 179.24 176.21 2cv4 h SER 166 N 0.06 0.79 0.09 6.45 4.64 -0.83 -3.15 113.55 121.60 2cv4 h SER 166 Ca 0.04 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2cv4 h SER 166 Cb 0.09 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2cv4 h SER 166 CO -0.01 1.18 -0.09 0.18 -0.87 0.00 0.00 176.83 177.23 2cv4 n LEU 167 N -3.97 1.20 -3.44 5.97 4.77 -0.54 -4.96 117.00 116.03 2cv4 n LEU 167 Ca -0.04 -0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.37 2cv4 n LEU 167 Cb 0.62 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2cv4 n LEU 167 CO 0.49 0.21 -0.00 1.17 -1.33 0.00 0.00 177.39 177.92 2cv4 n LYS 168 N -0.22 -2.53 -4.12 3.23 4.81 -0.00 -5.02 118.16 114.30 2cv4 n LYS 168 Ca 0.17 0.72 -0.08 0.00 -0.87 0.00 0.00 58.31 58.24 2cv4 n LYS 168 Cb 0.34 -5.26 -0.10 0.00 0.02 0.00 0.00 35.03 30.02 2cv4 n LYS 168 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2cv4 s ARG 169 N -5.10 0.68 0.11 1.64 1.81 0.71 -4.59 118.95 114.22 2cv4 s ARG 169 Ca 0.38 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 53.16 2cv4 s ARG 169 Cb -0.08 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 2cv4 s ARG 169 CO 0.78 -0.08 0.20 0.00 -0.68 0.00 0.00 175.30 175.53 2cv4 s ALA 170 N -3.79 3.85 -0.22 2.13 0.00 0.91 -4.47 121.76 120.18 2cv4 s ALA 170 Ca 0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 2cv4 s ALA 170 Cb 0.07 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2cv4 s ALA 170 CO -0.08 0.67 0.01 0.08 0.00 0.00 0.00 175.76 176.44 2cv4 s VAL 171 N -1.60 3.92 0.80 0.00 1.01 -1.26 0.22 120.40 123.49 2cv4 s VAL 171 Ca 0.33 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2cv4 s VAL 171 Cb -0.12 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.54 2cv4 s VAL 171 CO 0.26 0.40 1.12 -2.16 0.00 0.00 0.00 175.10 174.73 2cv4 s PRO 172 N 1.28 1.94 0.28 2.72 0.04 -1.26 -4.92 135.00 135.08 2cv4 s PRO 172 Ca 0.04 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2cv4 s PRO 172 Cb -0.15 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 2cv4 s PRO 172 CO 0.01 -1.91 1.25 0.00 0.04 0.00 0.00 177.00 176.39 2cv4 n ALA 173 N -3.55 0.69 -1.17 8.56 0.00 -1.26 -1.82 120.51 121.97 2cv4 n ALA 173 Ca 0.10 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 2cv4 n ALA 173 Cb 0.52 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 1.46 -5.01 -4.67 0.00 8.00 -1.26 -4.20 116.55 110.87 2cv4 n ASP 174 Ca 0.09 0.15 -0.40 0.00 0.71 0.00 0.00 54.79 55.34 2cv4 n ASP 174 Cb 0.32 -3.04 0.03 0.00 -0.02 0.00 0.00 41.12 38.42 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 -2.40 1.70 -0.21 1.24 -0.00 -0.76 -0.98 117.44 116.04 2cv4 n TRP 175 Ca -0.06 0.48 -0.04 0.00 -0.00 0.00 0.00 57.50 57.88 2cv4 n TRP 175 Cb 0.41 -2.29 0.18 0.00 -0.00 0.00 0.00 31.31 29.60 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 -0.39 2.58 -2.02 5.87 -0.04 -1.26 -4.92 135.00 134.82 2cv4 n PRO 176 Ca 0.09 -1.82 -0.29 0.00 -0.04 0.00 0.00 63.50 61.45 2cv4 n PRO 176 Cb 0.42 -1.83 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.02 5.65 -4.74 3.54 3.02 -0.15 -3.25 115.26 119.30 2cv4 n ASN 177 Ca 0.25 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.63 2cv4 n ASN 177 Cb 0.99 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.99 6.74 0.44 6.41 2.47 -0.93 -4.85 114.94 122.23 2cv4 s ASN 178 Ca 0.53 2.57 0.30 0.00 0.42 0.00 0.00 52.86 56.68 2cv4 s ASN 178 Cb 0.43 -2.62 1.19 0.00 -1.45 0.00 0.00 41.25 38.80 2cv4 s ASN 178 CO -0.09 -0.64 1.88 1.05 -3.72 0.00 0.00 177.10 175.58 2cv4 h GLU 179 N 5.19 0.00 0.00 0.43 4.11 -1.90 0.77 114.58 123.18 2cv4 h GLU 179 Ca -0.45 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.89 2cv4 h GLU 179 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2cv4 h GLU 179 CO 0.78 0.00 -0.69 0.82 0.07 0.00 0.00 179.01 179.98 2cv4 h ILE 180 N 0.00 0.48 -0.12 -1.06 2.04 -1.95 -3.42 117.51 113.47 2cv4 h ILE 180 Ca 0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2cv4 h ILE 180 Cb 0.48 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2cv4 h ILE 180 CO 0.00 0.16 0.00 2.30 0.00 0.00 0.00 178.15 180.61 2cv4 n ILE 181 N -4.57 0.96 0.00 -0.67 -5.35 -1.25 -5.09 119.36 103.39 2cv4 n ILE 181 Ca -0.16 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 2cv4 n ILE 181 Cb 0.41 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 -0.12 2.24 0.52 3.28 0.00 0.26 -1.40 105.19 109.97 2cv4 n GLY 182 Ca 0.04 0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.56 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 4.46 1.68 -1.40 1.61 0.28 -1.20 -2.20 120.64 123.86 2cv4 n GLU 183 Ca 0.00 -1.04 -0.37 0.00 -0.16 0.00 0.00 57.16 55.59 2cv4 n GLU 183 Cb 0.00 -1.48 0.07 0.00 1.43 0.00 0.00 31.44 31.46 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 1.21 -0.88 3.30 -1.84 0.00 -0.49 -4.84 105.19 101.66 2cv4 n GLY 184 Ca 0.18 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.52 2.05 0.19 0.99 1.43 -0.22 -4.58 118.68 117.02 2cv4 s LEU 185 Ca 0.71 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 2cv4 s LEU 185 Cb -0.37 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 2cv4 s LEU 185 CO 0.52 0.31 0.84 -0.63 0.23 0.00 0.00 176.35 177.62 2cv4 s ILE 186 N -0.58 4.26 -0.14 -0.59 1.01 0.13 -2.05 121.20 123.24 2cv4 s ILE 186 Ca 0.09 1.86 -0.27 0.00 0.00 0.00 0.00 60.65 62.34 2cv4 s ILE 186 Cb -0.10 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2cv4 s ILE 186 CO -0.01 0.51 0.88 -0.69 0.00 0.00 0.00 174.94 175.63 2cv4 s VAL 187 N -1.13 4.86 0.13 2.92 1.01 0.19 -0.06 120.40 128.32 2cv4 s VAL 187 Ca 0.38 1.76 -0.35 0.00 0.00 0.00 0.00 61.98 63.77 2cv4 s VAL 187 Cb -0.24 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 31.79 2cv4 s VAL 187 CO 0.29 0.03 1.30 -2.65 0.00 0.00 0.00 175.10 174.06 2cv4 n PRO 188 N 5.09 1.27 -1.67 2.72 -0.02 -1.26 -4.46 135.00 136.66 2cv4 n PRO 188 Ca 0.06 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 2cv4 n PRO 188 Cb 0.49 -2.06 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.17 2.56 0.25 0.52 0.04 -1.26 -4.98 135.00 132.30 2cv4 s PRO 189 Ca 0.79 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 2cv4 s PRO 189 Cb -0.88 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.66 2cv4 s PRO 189 CO 0.48 -1.48 1.28 -2.14 0.04 0.00 0.00 177.00 175.19 2cv4 s PRO 190 N -3.88 4.41 0.00 0.56 0.02 -1.26 -4.96 135.00 129.89 2cv4 s PRO 190 Ca 0.72 2.07 0.23 0.00 0.02 0.00 0.00 61.00 64.04 2cv4 s PRO 190 Cb -0.25 -3.16 0.26 0.00 0.02 0.00 0.00 34.50 31.37 2cv4 s PRO 190 CO 0.41 -0.17 1.28 0.25 -0.33 0.00 0.00 177.00 178.44 2cv4 n THR 191 N 1.88 0.18 -4.16 0.99 -2.24 -1.26 -4.86 114.28 104.81 2cv4 n THR 191 Ca 0.03 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 2cv4 n THR 191 Cb 0.43 1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.75 0.52 0.16 4.28 -4.23 -1.26 -5.06 115.64 108.30 2cv4 s THR 192 Ca 0.30 -1.91 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 2cv4 s THR 192 Cb 0.20 -1.75 0.04 0.00 1.34 0.00 0.00 72.50 72.33 2cv4 s THR 192 CO 0.29 -0.80 1.82 -0.33 -0.54 0.00 0.00 174.62 175.07 2cv4 h GLU 193 N 2.96 0.58 -0.39 3.99 5.08 -1.99 -1.41 114.58 123.39 2cv4 h GLU 193 Ca -0.35 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2cv4 h GLU 193 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2cv4 h GLU 193 CO 0.64 0.38 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.58 2cv4 h ASP 194 N 0.59 0.68 -0.92 1.42 3.32 -1.99 -0.35 116.42 119.18 2cv4 h ASP 194 Ca 0.17 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.93 2cv4 h ASP 194 Cb -0.04 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 2cv4 h ASP 194 CO -0.05 0.83 0.61 1.56 -1.72 0.00 0.00 179.24 180.47 2cv4 h GLN 195 N 0.52 1.18 -0.71 3.56 4.20 -1.93 -0.56 115.11 121.37 2cv4 h GLN 195 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2cv4 h GLN 195 Cb 0.49 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2cv4 h GLN 195 CO 0.02 0.78 0.25 0.00 -0.67 0.00 0.00 178.83 179.22 2cv4 h ALA 196 N 1.44 0.92 -0.57 3.87 0.00 -0.77 -0.95 119.26 123.21 2cv4 h ALA 196 Ca 0.35 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2cv4 h ALA 196 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2cv4 h ALA 196 CO -0.09 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.72 2cv4 h ARG 197 N 1.03 0.99 0.00 0.00 3.08 -0.35 -2.36 114.38 116.77 2cv4 h ARG 197 Ca 0.23 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2cv4 h ARG 197 Cb 0.26 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2cv4 h ARG 197 CO -0.01 0.99 -0.13 0.00 -1.07 0.00 0.00 179.97 179.75 2cv4 h ALA 198 N 1.06 1.09 -2.46 0.04 0.00 -0.68 -3.52 119.26 114.80 2cv4 h ALA 198 Ca 0.16 -0.11 -0.48 0.00 0.00 0.00 0.00 54.91 54.48 2cv4 h ALA 198 Cb 0.55 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2cv4 h ALA 198 CO 0.03 0.16 0.40 0.50 0.00 0.00 0.00 179.25 180.34 2cv4 s ARG 199 N -3.84 4.08 -0.75 0.00 3.52 -0.40 -5.09 118.95 116.47 2cv4 s ARG 199 Ca -0.01 1.47 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 2cv4 s ARG 199 Cb 0.11 -2.43 0.22 0.00 -1.56 0.00 0.00 34.95 31.29 2cv4 s ARG 199 CO 0.58 -0.21 0.73 -0.85 -0.81 0.00 0.00 175.30 174.75 2cv4 n GLU 201 N -0.30 2.48 -4.13 5.12 0.28 -1.26 -4.87 120.64 117.97 2cv4 n GLU 201 Ca 0.06 -4.57 -0.27 0.00 -0.16 0.00 0.00 57.16 52.22 2cv4 n GLU 201 Cb 0.50 -2.32 -0.07 0.00 1.43 0.00 0.00 31.44 30.99 2cv4 n GLU 201 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2cv4 s SER 202 N -1.68 5.20 0.00 -1.84 0.15 -1.26 -4.70 113.70 109.58 2cv4 s SER 202 Ca 0.32 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2cv4 s SER 202 Cb 0.04 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2cv4 s SER 202 CO -0.08 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2cv4 n GLY 203 N -0.17 -0.02 0.00 9.45 0.00 -1.26 -2.35 105.19 110.84 2cv4 n GLY 203 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2cv4 n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cv4 n GLN 204 N 0.00 -0.79 -4.26 1.61 6.02 -1.26 -5.02 117.38 113.67 2cv4 n GLN 204 Ca 0.00 -0.47 -0.34 0.00 -0.01 0.00 0.00 57.00 56.18 2cv4 n GLN 204 Cb 0.00 -0.95 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 2cv4 n GLN 204 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2cv4 s TYR 205 N -0.02 2.84 -0.04 1.08 4.12 -0.99 -4.35 117.35 119.98 2cv4 s TYR 205 Ca 0.00 -1.10 -0.04 0.00 0.02 0.00 0.00 57.07 55.95 2cv4 s TYR 205 Cb 0.00 -1.96 -0.04 0.00 -1.52 0.00 0.00 41.96 38.44 2cv4 s TYR 205 CO 0.00 -0.54 0.18 1.03 0.02 0.00 0.00 175.55 176.24 2cv4 s ARG 206 N 1.08 3.46 -0.01 -0.62 3.00 -0.95 -4.00 118.95 120.91 2cv4 s ARG 206 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 55.73 55.50 2cv4 s ARG 206 Cb -0.14 -3.12 0.01 0.00 0.00 0.00 0.00 34.95 31.70 2cv4 s ARG 206 CO -0.03 0.70 0.00 0.00 0.00 0.00 0.00 175.30 175.97 2cv4 n LEU 208 N 3.56 0.50 -3.68 0.00 4.77 -0.57 -4.98 117.00 116.61 2cv4 n LEU 208 Ca -0.19 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2cv4 n LEU 208 Cb 0.55 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2cv4 n LEU 208 CO 0.24 -0.04 0.79 -0.62 -1.33 0.00 0.00 177.39 176.43 2cv4 s ASP 209 N -5.12 -0.19 0.67 -1.43 -1.08 -1.25 -4.96 116.67 103.32 2cv4 s ASP 209 Ca -0.04 -0.26 0.42 0.00 -0.52 0.00 0.00 52.55 52.15 2cv4 s ASP 209 Cb 0.11 0.39 2.31 0.00 -1.46 0.00 0.00 42.92 44.28 2cv4 s ASP 209 CO 0.84 -0.71 2.31 4.11 0.52 0.00 0.00 175.17 182.24 2cv4 h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.90 -0.63 115.95 115.13 2cv4 h TRP 210 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 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 0.34 0.00 -0.38 -2.67 -1.28 0.00 0.00 178.44 174.45 2cv4 n TRP 211 N -3.07 0.00 -3.88 0.12 4.27 -1.26 -4.48 117.44 109.14 2cv4 n TRP 211 Ca -0.03 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.29 2cv4 n TRP 211 Cb 0.12 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.94 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 -2.37 3.04 0.10 -2.67 2.19 -0.25 -4.55 117.98 113.47 2cv4 s PHE 212 Ca 0.20 -3.08 0.08 0.00 0.33 0.00 0.00 56.93 54.46 2cv4 s PHE 212 Cb 0.18 -2.57 -0.03 0.00 -1.31 0.00 0.00 43.02 39.29 2cv4 s PHE 212 CO 0.52 -0.69 -0.21 0.00 1.83 0.00 0.00 175.22 176.67 2cv4 s TRP 214 N -1.17 0.31 0.00 0.00 1.48 -0.84 0.58 118.94 119.29 2cv4 s TRP 214 Ca 0.06 -0.66 0.00 0.00 -1.06 0.00 0.00 56.10 54.44 2cv4 s TRP 214 Cb -0.10 0.06 0.00 0.00 -1.16 0.00 0.00 33.47 32.27 2cv4 s TRP 214 CO 0.04 -0.80 0.00 -0.40 -4.06 0.00 0.00 176.95 171.73 2cv4 n ASP 215 N -0.27 0.00 -3.30 -2.66 5.75 -0.87 -2.24 116.55 112.97 2cv4 n ASP 215 Ca -0.07 -0.64 -0.25 0.00 -0.01 0.00 0.00 54.79 53.82 2cv4 n ASP 215 Cb 0.63 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.00 -0.43 1.18 2.12 -2.24 -1.26 -1.05 114.28 112.59 2cv4 n THR 216 Ca 0.00 -4.01 0.13 0.00 -2.27 0.00 0.00 64.05 57.90 2cv4 n THR 216 Cb 0.00 -1.90 0.42 0.00 -2.10 0.00 0.00 70.33 66.75 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 1.76 0.43 -2.62 -0.78 -0.04 -1.26 -4.91 135.00 127.57 2cv4 n PRO 217 Ca 0.24 -0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 2cv4 n PRO 217 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.71 3.13 0.68 0.55 0.00 -1.26 -5.01 121.76 117.13 2cv4 s ALA 218 Ca 0.20 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 2cv4 s ALA 218 Cb 0.19 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2cv4 s ALA 218 CO 0.57 -0.08 1.08 -1.54 0.00 0.00 0.00 175.76 175.79 2cv4 s SER 219 N -1.58 5.18 0.29 0.00 1.04 -1.26 -4.87 113.70 112.49 2cv4 s SER 219 Ca 0.55 1.85 -0.03 0.00 0.48 0.00 0.00 55.95 58.80 2cv4 s SER 219 Cb -0.21 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.79 2cv4 s SER 219 CO 0.26 -1.58 1.95 -0.09 0.98 0.00 0.00 173.24 174.76 2cv4 h ARG 220 N -0.27 1.10 -0.63 4.02 2.43 -1.99 -0.80 114.38 118.24 2cv4 h ARG 220 Ca -0.45 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 58.68 2cv4 h ARG 220 Cb 1.23 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 2cv4 h ARG 220 CO 0.55 0.75 0.42 -0.44 -1.51 0.00 0.00 179.97 179.74 2cv4 h ASP 221 N 1.13 0.59 -0.28 -3.80 3.32 -1.99 -0.86 116.42 114.53 2cv4 h ASP 221 Ca 0.30 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2cv4 h ASP 221 Cb -0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2cv4 h ASP 221 CO -0.06 0.39 -0.10 0.44 -1.72 0.00 0.00 179.24 178.19 2cv4 h ASP 222 N 0.67 0.57 -0.33 6.45 3.32 -1.52 -2.04 116.42 123.54 2cv4 h ASP 222 Ca 0.26 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 2cv4 h ASP 222 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2cv4 h ASP 222 CO -0.08 0.83 0.06 0.58 -1.72 0.00 0.00 179.24 178.91 2cv4 h VAL 223 N 0.31 1.23 -0.33 -1.35 2.07 -0.98 -2.27 116.25 114.92 2cv4 h VAL 223 Ca 0.07 -0.82 -0.17 0.00 0.82 0.00 0.00 66.70 66.60 2cv4 h VAL 223 Cb 0.60 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2cv4 h VAL 223 CO 0.03 0.27 -0.47 -0.33 0.02 0.00 0.00 177.57 177.10 2cv4 h GLU 224 N 0.39 0.90 -0.40 1.57 5.08 -1.20 -0.01 114.58 120.90 2cv4 h GLU 224 Ca 0.10 -0.52 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2cv4 h GLU 224 Cb 0.35 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2cv4 h GLU 224 CO 0.01 1.17 0.20 0.93 -1.00 0.00 0.00 179.01 180.31 2cv4 h GLU 225 N 0.71 0.39 -0.57 2.33 4.39 -1.37 0.29 114.58 120.75 2cv4 h GLU 225 Ca 0.04 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.77 2cv4 h GLU 225 Cb 1.07 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.58 2cv4 h GLU 225 CO 0.11 0.26 0.30 0.00 -1.16 0.00 0.00 179.01 178.51 2cv4 h ALA 226 N 1.21 0.75 -0.03 3.43 0.00 -1.21 -1.60 119.26 121.81 2cv4 h ALA 226 Ca 0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2cv4 h ALA 226 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2cv4 h ALA 226 CO -0.12 -0.05 -0.46 -0.09 0.00 0.00 0.00 179.25 178.52 2cv4 h ARG 227 N 0.56 0.08 -0.71 0.00 2.43 -0.37 -3.00 114.38 113.36 2cv4 h ARG 227 Ca 0.26 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2cv4 h ARG 227 Cb 0.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2cv4 h ARG 227 CO -0.18 0.53 0.21 -0.09 -1.51 0.00 0.00 179.97 178.93 2cv4 h ARG 228 N 0.06 1.10 -0.78 0.20 2.43 0.54 -0.09 114.38 117.84 2cv4 h ARG 228 Ca 0.00 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2cv4 h ARG 228 Cb 0.85 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 2cv4 h ARG 228 CO 0.06 0.95 0.47 1.88 -1.51 0.00 0.00 179.97 181.83 2cv4 h TYR 229 N 1.04 0.87 -0.28 2.20 0.05 -1.32 0.38 116.97 119.91 2cv4 h TYR 229 Ca 0.23 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.92 2cv4 h TYR 229 Cb 0.31 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 2cv4 h TYR 229 CO 0.02 0.44 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.24 2cv4 h LEU 230 N 0.87 0.72 -0.53 3.88 4.07 -1.41 -2.15 115.31 120.75 2cv4 h LEU 230 Ca 0.34 -0.47 0.05 0.00 0.08 0.00 0.00 57.88 57.89 2cv4 h LEU 230 Cb 0.17 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 2cv4 h LEU 230 CO -0.17 1.04 0.26 0.03 -1.08 0.00 0.00 178.44 178.52 2cv4 h ARG 231 N 0.42 0.49 -0.84 1.13 3.08 -0.10 0.18 114.38 118.73 2cv4 h ARG 231 Ca 0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2cv4 h ARG 231 Cb 0.83 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2cv4 h ARG 231 CO 0.07 0.33 0.53 -0.09 -1.07 0.00 0.00 179.97 179.74 2cv4 h ARG 232 N 0.51 0.99 -0.51 0.04 2.43 -0.88 0.35 114.38 117.31 2cv4 h ARG 232 Ca 0.24 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2cv4 h ARG 232 Cb 0.16 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2cv4 h ARG 232 CO -0.17 0.66 -0.01 0.00 -1.51 0.00 0.00 179.97 178.94 2cv4 h ALA 233 N 1.37 1.04 0.00 2.80 0.00 -0.67 -2.80 119.26 121.00 2cv4 h ALA 233 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2cv4 h ALA 233 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2cv4 h ALA 233 CO -0.13 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2cv4 n ALA 234 N -2.48 2.26 -2.68 0.00 0.00 -0.02 -4.84 120.51 112.75 2cv4 n ALA 234 Ca 0.03 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 2cv4 n ALA 234 Cb 0.32 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 2cv4 n ALA 234 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2cv4 s GLU 235 N -3.04 4.36 -0.07 0.00 2.12 -0.09 -5.01 118.70 116.98 2cv4 s GLU 235 Ca 0.12 0.64 -0.30 0.00 0.36 0.00 0.00 54.97 55.80 2cv4 s GLU 235 Cb 0.16 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 2cv4 s GLU 235 CO 0.54 0.17 1.52 0.21 -0.54 0.00 0.00 175.26 177.15 2cv4 s LYS 236 N 0.53 4.21 0.41 4.30 2.20 -1.26 -4.94 119.74 125.19 2cv4 s LYS 236 Ca 0.31 2.04 -0.25 0.00 -0.36 0.00 0.00 55.97 57.70 2cv4 s LYS 236 Cb -0.16 -3.85 -0.11 0.00 -1.51 0.00 0.00 37.83 32.20 2cv4 s LYS 236 CO 0.14 -0.77 1.15 -0.35 -0.36 0.00 0.00 175.35 175.16 2cv4 n PRO 237 N 6.67 1.66 -1.22 4.03 -0.04 -1.26 -4.91 135.00 139.94 2cv4 n PRO 237 Ca 0.16 0.59 -0.24 0.00 -0.04 0.00 0.00 63.50 63.97 2cv4 n PRO 237 Cb 0.43 -2.20 0.17 0.00 -0.04 0.00 0.00 33.50 31.87 2cv4 n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cv4 n ALA 238 N -0.26 5.60 -0.09 0.55 0.00 -1.26 -4.72 120.51 120.32 2cv4 n ALA 238 Ca 0.08 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2cv4 n ALA 238 Cb 0.39 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2cv4 n ALA 238 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cv4 n LYS 239 N -1.12 0.00 -0.68 0.00 4.81 -1.26 -5.16 118.16 114.75 2cv4 n LYS 239 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2cv4 n LYS 239 Cb 1.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.67 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 -2.37 -1.90 -0.60 3.14 4.77 -1.26 -4.86 117.00 113.92 2cv4 n LEU 240 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2cv4 n LEU 240 Cb 0.00 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 2cv4 n LEU 240 CO 0.00 0.00 0.26 0.18 -1.33 0.00 0.00 177.39 176.50 2cv4 n LEU 241 N 0.00 1.22 -0.78 2.23 4.77 -1.26 -5.24 117.00 117.93 2cv4 n LEU 241 Ca 0.00 -0.61 0.10 0.00 -0.03 0.00 0.00 56.01 55.47 2cv4 n LEU 241 Cb 0.00 -0.44 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 2cv4 n LEU 241 CO 0.00 0.26 0.56 0.00 -1.33 0.00 0.00 177.39 176.88