#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvu n GLY 2 N 0.00 0.80 0.10 3.03 0.00 -1.26 -5.02 105.19 102.84 2kvu n GLY 2 Ca 0.00 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2kvu n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kvu n HIS 3 N 0.00 0.00 -1.33 1.61 -0.00 -1.26 -3.88 115.22 110.36 2kvu n HIS 3 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2kvu n HIS 3 Cb 0.00 -0.23 0.12 0.00 -0.00 0.00 0.00 29.99 29.89 2kvu n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kvu n HIS 4 N -1.09 3.01 -0.21 4.41 -0.00 -1.26 -4.64 115.22 115.44 2kvu n HIS 4 Ca 0.11 -2.43 -0.04 0.00 -0.00 0.00 0.00 57.72 55.35 2kvu n HIS 4 Cb 0.32 -1.14 0.06 0.00 -0.00 0.00 0.00 29.99 29.23 2kvu n HIS 4 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kvu h HIS 5 N 1.55 0.68 -0.68 4.41 -0.00 -1.99 -2.36 115.15 116.75 2kvu h HIS 5 Ca 0.58 0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.64 2kvu h HIS 5 Cb 1.72 -0.22 -0.20 0.00 -0.00 0.00 0.00 27.41 28.71 2kvu h HIS 5 CO 1.45 0.39 0.30 1.58 -0.00 0.00 0.00 177.93 181.64 2kvu n HIS 6 N -4.74 2.13 -2.69 5.26 -0.00 -1.26 -3.97 115.22 109.95 2kvu n HIS 6 Ca 0.05 -1.64 -0.07 0.00 -0.00 0.00 0.00 57.72 56.06 2kvu n HIS 6 Cb 0.08 -0.71 0.07 0.00 -0.00 0.00 0.00 29.99 29.42 2kvu n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kvu n HIS 7 N -1.00 -0.14 0.00 1.57 -0.00 -0.89 -4.87 115.22 109.88 2kvu n HIS 7 Ca 0.46 -2.38 0.00 0.00 0.46 0.00 0.00 57.72 56.26 2kvu n HIS 7 Cb 1.36 0.37 0.00 0.00 -0.12 0.00 0.00 29.99 31.60 2kvu n HIS 7 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kvu n HIS 8 N -0.39 0.00 -2.02 1.57 -0.00 -1.23 -4.94 115.22 108.22 2kvu n HIS 8 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.33 2kvu n HIS 8 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.82 2kvu n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kvu n SER 9 N 0.00 4.24 -3.79 0.26 7.64 -1.25 -4.84 113.62 115.88 2kvu n SER 9 Ca 0.00 -2.87 -0.28 0.00 1.01 0.00 0.00 58.87 56.73 2kvu n SER 9 Cb 0.00 -1.68 -0.16 0.00 -1.01 0.00 0.00 64.21 61.35 2kvu n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kvu s HIS 10 N 3.43 1.37 -0.18 1.43 2.46 -1.26 -5.01 115.29 117.53 2kvu s HIS 10 Ca 0.49 -1.05 -0.05 0.00 0.47 0.00 0.00 55.06 54.92 2kvu s HIS 10 Cb 0.11 -1.16 0.09 0.00 -0.13 0.00 0.00 32.58 31.48 2kvu s HIS 10 CO -0.03 -0.64 0.34 1.41 -2.47 0.00 0.00 174.74 173.35 2kvu s MET 11 N 1.74 0.25 -0.24 2.88 -2.45 -1.26 -5.12 119.30 115.11 2kvu s MET 11 Ca -0.02 0.81 -0.29 0.00 -1.25 0.00 0.00 55.69 54.94 2kvu s MET 11 Cb -0.17 -0.00 -0.02 0.00 1.25 0.00 0.00 34.83 35.89 2kvu s MET 11 CO -0.07 -0.34 1.46 -1.12 1.05 0.00 0.00 175.02 175.99 2kvu s SER 12 N 2.51 6.57 0.78 1.11 0.01 -1.26 -5.01 113.70 118.41 2kvu s SER 12 Ca 0.02 1.50 -0.11 0.00 1.31 0.00 0.00 55.95 58.66 2kvu s SER 12 Cb -0.13 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.63 2kvu s SER 12 CO -0.11 -1.12 1.09 0.42 0.41 0.00 0.00 173.24 173.93 2kvu s THR 13 N 4.64 3.20 0.13 1.44 -4.23 -1.26 -4.95 115.64 114.61 2kvu s THR 13 Ca 0.64 0.39 -0.35 0.00 -1.18 0.00 0.00 61.69 61.19 2kvu s THR 13 Cb -0.22 -3.16 -0.15 0.00 1.34 0.00 0.00 72.50 70.32 2kvu s THR 13 CO 0.25 -0.51 1.49 -0.81 -0.54 0.00 0.00 174.62 174.50 2kvu n PRO 14 N -3.37 1.74 -3.20 3.99 -0.04 -1.26 -4.93 135.00 127.94 2kvu n PRO 14 Ca 0.07 0.63 -0.46 0.00 -0.04 0.00 0.00 63.50 63.70 2kvu n PRO 14 Cb 0.56 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2kvu n PRO 14 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kvu s LEU 15 N 0.78 6.12 0.13 1.53 2.96 -1.26 -5.03 118.68 123.92 2kvu s LEU 15 Ca 0.81 -2.31 0.11 0.00 -0.22 0.00 0.00 54.13 52.52 2kvu s LEU 15 Cb -0.79 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2kvu s LEU 15 CO 0.42 -0.78 -0.26 0.42 -1.32 0.00 0.00 176.35 174.82 2kvu s THR 16 N 1.21 2.32 0.00 3.68 -4.23 -1.26 -4.86 115.64 112.50 2kvu s THR 16 Ca 0.20 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2kvu s THR 16 Cb -0.12 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2kvu s THR 16 CO -0.06 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2kvu n GLY 17 N 0.88 0.69 3.46 3.99 0.00 -1.26 -5.10 105.19 107.84 2kvu n GLY 17 Ca -0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 2kvu n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvu s LYS 18 N -2.79 1.06 0.00 1.61 -2.85 -1.26 -5.18 119.74 110.33 2kvu s LYS 18 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2kvu s LYS 18 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2kvu s LYS 18 CO 0.00 -0.37 0.00 -0.35 0.10 0.00 0.00 175.35 174.73 2kvu n PRO 19 N 0.62 0.61 -0.02 1.78 -0.04 -1.26 -5.04 135.00 131.66 2kvu n PRO 19 Ca -0.19 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 2kvu n PRO 19 Cb 0.59 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.93 2kvu n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvu n GLY 20 N 5.00 -0.68 3.56 0.55 0.00 -1.26 -5.03 105.19 107.32 2kvu n GLY 20 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2kvu n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu s ALA 21 N -2.92 0.08 0.05 4.61 0.00 -1.26 -4.97 121.76 117.35 2kvu s ALA 21 Ca -0.06 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2kvu s ALA 21 Cb 0.09 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2kvu s ALA 21 CO 0.61 -3.52 -0.09 -0.51 0.00 0.00 0.00 175.76 172.25 2kvu s LEU 22 N -6.96 3.07 0.68 0.00 1.43 -1.26 -5.13 118.68 110.52 2kvu s LEU 22 Ca 0.67 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 2kvu s LEU 22 Cb -0.21 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2kvu s LEU 22 CO 0.61 0.23 1.08 -2.16 0.23 0.00 0.00 176.35 176.34 2kvu s PRO 23 N -1.80 2.80 -0.03 1.29 0.04 -1.26 -4.94 135.00 131.11 2kvu s PRO 23 Ca 0.19 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2kvu s PRO 23 Cb -0.11 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.64 2kvu s PRO 23 CO 0.11 -1.23 0.98 0.00 0.04 0.00 0.00 177.00 176.90 2kvu n ALA 24 N -2.73 2.63 -2.03 8.56 0.00 -1.26 -3.82 120.51 121.87 2kvu n ALA 24 Ca 0.09 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 2kvu n ALA 24 Cb 0.53 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.99 2kvu n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kvu n ASN 25 N 0.07 5.23 0.21 0.00 4.13 -1.26 -4.77 115.26 118.87 2kvu n ASN 25 Ca 0.06 -3.75 0.05 0.00 1.68 0.00 0.00 54.58 52.62 2kvu n ASN 25 Cb 0.30 -0.44 0.45 0.00 -1.54 0.00 0.00 39.78 38.54 2kvu n ASN 25 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2kvu h LEU 26 N 2.26 0.00 -0.04 3.41 3.38 -1.96 -1.98 115.31 120.38 2kvu h LEU 26 Ca 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 2kvu h LEU 26 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2kvu h LEU 26 CO 0.88 0.27 -0.34 -0.78 0.09 0.00 0.00 178.44 178.56 2kvu h ASP 27 N 0.00 0.00 1.85 -0.43 3.58 -1.94 -3.07 116.42 116.41 2kvu h ASP 27 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2kvu h ASP 27 Cb 0.50 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kvu h ASP 27 CO 0.04 0.34 -0.15 0.44 -2.88 0.00 0.00 179.24 177.03 2kvu h ASP 28 N 0.00 0.00 -4.13 2.28 3.32 -1.75 -3.45 116.42 112.68 2kvu h ASP 28 Ca -0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 2kvu h ASP 28 Cb 1.25 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.86 2kvu h ASP 28 CO 0.04 0.10 0.39 -0.04 -1.72 0.00 0.00 179.24 178.02 2kvu s MET 29 N -3.17 3.35 0.64 3.56 -1.94 -0.94 -5.04 119.30 115.76 2kvu s MET 29 Ca 0.06 1.39 -0.09 0.00 -1.71 0.00 0.00 55.69 55.34 2kvu s MET 29 Cb 0.06 -2.03 -0.00 0.00 2.01 0.00 0.00 34.83 34.87 2kvu s MET 29 CO 0.69 -0.81 1.00 0.15 -0.01 0.00 0.00 175.02 176.04 2kvu s LYS 30 N -3.64 3.08 0.20 2.03 3.01 -1.26 -4.88 119.74 118.28 2kvu s LYS 30 Ca 0.68 0.36 -0.10 0.00 -1.01 0.00 0.00 55.97 55.90 2kvu s LYS 30 Cb -0.19 -2.14 0.23 0.00 -1.01 0.00 0.00 37.83 34.73 2kvu s LYS 30 CO 0.31 -0.77 1.76 0.28 0.51 0.00 0.00 175.35 177.44 2kvu h VAL 31 N -0.37 0.85 -0.53 3.17 2.07 -1.96 -0.82 116.25 118.66 2kvu h VAL 31 Ca -0.45 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2kvu h VAL 31 Cb 1.24 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2kvu h VAL 31 CO 0.62 0.09 0.13 0.00 0.02 0.00 0.00 177.57 178.43 2kvu h ALA 32 N 1.37 1.23 -0.47 1.67 0.00 -1.99 -2.16 119.26 118.91 2kvu h ALA 32 Ca 0.28 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2kvu h ALA 32 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kvu h ALA 32 CO -0.25 0.53 -0.12 0.93 0.00 0.00 0.00 179.25 180.34 2kvu h GLU 33 N 0.78 0.86 -0.71 0.00 4.39 -1.62 -1.74 114.58 116.54 2kvu h GLU 33 Ca 0.17 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 2kvu h GLU 33 Cb 0.29 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2kvu h GLU 33 CO -0.00 0.94 0.26 -0.07 -1.16 0.00 0.00 179.01 178.98 2kvu h LEU 34 N 0.77 1.00 -1.55 1.33 3.38 -0.85 -2.00 115.31 117.39 2kvu h LEU 34 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2kvu h LEU 34 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kvu h LEU 34 CO 0.04 0.92 -0.10 0.11 0.09 0.00 0.00 178.44 179.50 2kvu h LYS 35 N 1.03 0.16 -0.36 1.13 1.57 -1.00 -1.49 116.57 117.61 2kvu h LYS 35 Ca 0.23 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2kvu h LYS 35 Cb 0.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2kvu h LYS 35 CO -0.01 0.27 0.10 1.96 -0.57 0.00 0.00 179.45 181.20 2kvu h GLN 36 N 0.16 0.56 -0.07 3.15 1.08 -0.61 0.92 115.11 120.30 2kvu h GLN 36 Ca 0.03 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 2kvu h GLN 36 Cb 0.28 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2kvu h GLN 36 CO 0.02 0.60 -0.23 0.93 -0.95 0.00 0.00 178.83 179.19 2kvu h GLU 37 N 0.42 0.11 0.29 1.46 4.39 -0.92 -2.29 114.58 118.05 2kvu h GLU 37 Ca 0.11 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2kvu h GLU 37 Cb 0.28 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kvu h GLU 37 CO -0.00 0.34 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.98 2kvu h LEU 38 N 0.11 -0.34 -2.23 1.33 3.38 -0.94 -3.12 115.31 113.50 2kvu h LEU 38 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2kvu h LEU 38 Cb 0.47 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kvu h LEU 38 CO 0.03 0.13 -0.02 0.07 0.09 0.00 0.00 178.44 178.74 2kvu h LYS 39 N -0.93 0.00 0.00 1.13 2.10 -0.72 0.18 116.57 118.33 2kvu h LYS 39 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2kvu h LYS 39 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2kvu h LYS 39 CO 0.07 0.02 -0.30 -0.07 -2.00 0.00 0.00 179.45 177.17 2kvu h LEU 40 N 0.00 0.00 -3.29 7.07 3.38 -1.50 -3.25 115.31 117.72 2kvu h LEU 40 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2kvu h LEU 40 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kvu h LEU 40 CO 0.00 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.10 2kvu n ARG 41 N -2.50 2.94 -2.15 1.13 1.74 -0.09 -4.93 116.66 112.80 2kvu n ARG 41 Ca 0.04 -2.89 -0.15 0.00 -0.77 0.00 0.00 57.85 54.08 2kvu n ARG 41 Cb 0.47 -1.87 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 2kvu n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kvu n SER 42 N -0.51 -4.68 -4.82 0.55 7.64 -1.02 -5.00 113.62 105.78 2kvu n SER 42 Ca 0.23 0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.80 2kvu n SER 42 Cb 0.93 -3.77 -0.07 0.00 -1.01 0.00 0.00 64.21 60.29 2kvu n SER 42 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kvu s LEU 43 N -4.29 4.12 0.33 -3.43 1.43 0.43 -5.01 118.68 112.26 2kvu s LEU 43 Ca 0.00 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2kvu s LEU 43 Cb 0.00 -2.09 -0.11 0.00 0.03 0.00 0.00 46.19 44.02 2kvu s LEU 43 CO 0.00 0.37 1.41 -2.84 0.23 0.00 0.00 176.35 175.52 2kvu s PRO 44 N -1.18 4.24 -0.16 1.29 0.02 -1.26 -3.51 135.00 134.43 2kvu s PRO 44 Ca 0.17 2.38 0.15 0.00 0.02 0.00 0.00 61.00 63.72 2kvu s PRO 44 Cb -0.12 -3.04 0.71 0.00 0.02 0.00 0.00 34.50 32.07 2kvu s PRO 44 CO 0.06 -0.38 1.61 1.33 -0.33 0.00 0.00 177.00 179.29 2kvu n VAL 45 N 1.09 2.09 -3.11 3.83 0.24 -1.26 -4.89 118.33 116.32 2kvu n VAL 45 Ca 0.02 -1.18 -0.40 0.00 -2.04 0.00 0.00 64.34 60.74 2kvu n VAL 45 Cb 0.40 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 2kvu n VAL 45 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kvu s SER 46 N -0.79 6.64 0.00 -1.34 1.04 -1.26 -4.96 113.70 113.03 2kvu s SER 46 Ca 0.49 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2kvu s SER 46 Cb 0.34 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2kvu s SER 46 CO 0.19 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2kvu n GLY 47 N 3.95 2.45 3.93 7.32 0.00 -1.26 -4.86 105.19 116.72 2kvu n GLY 47 Ca -0.01 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 2kvu n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kvu s THR 48 N -1.74 2.00 0.13 2.61 -4.23 -1.26 -4.77 115.64 108.38 2kvu s THR 48 Ca 0.00 -0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.28 2kvu s THR 48 Cb 0.00 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2kvu s THR 48 CO 0.00 0.00 1.67 0.50 -0.54 0.00 0.00 174.62 176.25 2kvu h LYS 49 N -1.54 -0.16 -0.96 3.99 3.64 -1.99 0.18 116.57 119.73 2kvu h LYS 49 Ca -0.45 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2kvu h LYS 49 Cb 1.25 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2kvu h LYS 49 CO 0.42 -0.11 0.63 1.15 -2.27 0.00 0.00 179.45 179.27 2kvu h THR 50 N -0.17 1.19 -0.79 1.00 2.02 -1.99 -0.65 112.91 113.52 2kvu h THR 50 Ca 0.10 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 2kvu h THR 50 Cb 0.31 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 2kvu h THR 50 CO -0.24 0.23 0.34 -0.33 0.37 0.00 0.00 175.52 175.88 2kvu h GLU 51 N 1.24 1.17 -0.30 6.66 4.39 -1.65 0.51 114.58 126.60 2kvu h GLU 51 Ca 0.37 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 2kvu h GLU 51 Cb -0.05 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2kvu h GLU 51 CO -0.10 0.94 0.06 -0.07 -1.16 0.00 0.00 179.01 178.67 2kvu h LEU 52 N 1.14 0.47 -0.24 1.33 3.38 -0.10 -0.39 115.31 120.91 2kvu h LEU 52 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kvu h LEU 52 Cb 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kvu h LEU 52 CO -0.03 0.60 0.15 0.40 0.09 0.00 0.00 178.44 179.65 2kvu h ILE 53 N 0.32 1.08 -0.94 1.22 2.04 -0.86 -0.34 117.51 120.02 2kvu h ILE 53 Ca 0.09 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2kvu h ILE 53 Cb 0.33 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2kvu h ILE 53 CO 0.00 0.08 0.56 -0.33 0.00 0.00 0.00 178.15 178.46 2kvu h GLU 54 N 0.31 1.29 -0.43 2.37 4.39 -0.80 -0.03 114.58 121.68 2kvu h GLU 54 Ca 0.09 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 2kvu h GLU 54 Cb -0.00 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 2kvu h GLU 54 CO -0.02 0.91 -0.18 -0.09 -1.16 0.00 0.00 179.01 178.47 2kvu h ARG 55 N 1.30 0.82 -0.30 2.33 2.43 -0.74 0.61 114.38 120.84 2kvu h ARG 55 Ca 0.34 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2kvu h ARG 55 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2kvu h ARG 55 CO -0.06 0.94 0.17 -0.07 -1.51 0.00 0.00 179.97 179.43 2kvu h LEU 56 N 0.72 0.37 -1.00 3.80 3.38 -0.52 -1.91 115.31 120.15 2kvu h LEU 56 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2kvu h LEU 56 Cb 0.69 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2kvu h LEU 56 CO 0.05 0.33 0.21 0.03 0.09 0.00 0.00 178.44 179.16 2kvu h ARG 57 N 0.37 0.93 -0.30 1.13 3.08 -0.66 0.22 114.38 119.16 2kvu h ARG 57 Ca 0.11 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2kvu h ARG 57 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2kvu h ARG 57 CO -0.02 0.79 0.01 0.00 -1.07 0.00 0.00 179.97 179.69 2kvu h ALA 58 N 1.32 1.48 0.07 0.04 0.00 -0.65 0.79 119.26 122.30 2kvu h ALA 58 Ca 0.21 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2kvu h ALA 58 Cb 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kvu h ALA 58 CO -0.01 0.38 -0.53 -0.92 0.00 0.00 0.00 179.25 178.17 2kvu h TYR 59 N 0.43 0.40 -0.21 0.00 3.20 -0.59 -3.24 116.97 116.95 2kvu h TYR 59 Ca 0.10 -0.27 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 2kvu h TYR 59 Cb 0.26 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2kvu h TYR 59 CO 0.01 1.16 -0.14 0.37 -1.64 0.00 0.00 178.16 177.92 2kvu h GLN 60 N -0.48 0.35 -0.50 1.82 5.75 -0.41 -2.63 115.11 119.00 2kvu h GLN 60 Ca -0.09 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2kvu h GLN 60 Cb 1.36 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.85 2kvu h GLN 60 CO 0.10 0.49 0.10 0.22 -2.65 0.00 0.00 178.83 177.09 2kvu h ASP 61 N 0.33 0.78 0.92 -0.69 3.58 -0.95 -2.56 116.42 117.83 2kvu h ASP 61 Ca 0.06 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2kvu h ASP 61 Cb 0.44 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kvu h ASP 61 CO 0.03 0.83 0.00 0.00 -2.88 0.00 0.00 179.24 177.21 2kvu n GLN 62 N -4.43 0.07 -0.09 0.28 10.64 -1.07 -2.32 117.38 120.47 2kvu n GLN 62 Ca 0.01 0.16 -0.03 0.00 -1.83 0.00 0.00 57.00 55.32 2kvu n GLN 62 Cb 0.24 -1.60 0.21 0.00 -0.86 0.00 0.00 30.24 28.22 2kvu n GLN 62 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2kvu h ILE 63 N 0.00 1.22 -3.40 -0.39 1.08 -1.10 -3.42 117.51 111.50 2kvu h ILE 63 Ca 0.00 -0.87 -0.55 0.00 -0.39 0.00 0.00 64.86 63.05 2kvu h ILE 63 Cb 0.46 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 2kvu h ILE 63 CO 0.00 0.31 0.06 -0.55 -0.69 0.00 0.00 178.15 177.28 2kvu s SER 64 N -6.64 7.15 -0.26 1.72 0.15 -0.98 -4.99 113.70 109.85 2kvu s SER 64 Ca -0.09 1.40 -0.36 0.00 0.70 0.00 0.00 55.95 57.60 2kvu s SER 64 Cb 0.15 -2.41 -0.12 0.00 -1.71 0.00 0.00 66.02 61.93 2kvu s SER 64 CO 0.79 0.19 2.00 -0.81 1.20 0.00 0.00 173.24 176.62 2kvu n PRO 65 N 1.41 1.42 -4.31 5.44 -0.04 -1.26 -4.97 135.00 132.68 2kvu n PRO 65 Ca -0.07 0.47 -0.28 0.00 -0.04 0.00 0.00 63.50 63.57 2kvu n PRO 65 Cb 0.50 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 2kvu n PRO 65 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kvu s VAL 66 N 5.58 2.90 0.13 0.52 -7.23 -1.26 -5.04 120.40 116.00 2kvu s VAL 66 Ca 1.02 -1.59 0.22 0.00 -1.81 0.00 0.00 61.98 59.82 2kvu s VAL 66 Cb -0.85 -2.36 0.20 0.00 0.56 0.00 0.00 36.38 33.93 2kvu s VAL 66 CO 0.53 0.02 1.79 -0.65 -0.31 0.00 0.00 175.10 176.49 2kvu h PRO 67 N 3.46 0.00 0.00 4.82 0.11 -2.01 -3.37 132.00 135.02 2kvu h PRO 67 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kvu h PRO 67 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kvu h PRO 67 CO 0.48 0.28 -0.13 0.41 -0.21 0.00 0.00 178.00 178.83 2kvu n GLY 68 N 0.20 -0.59 0.47 -0.55 0.00 -1.26 -5.12 105.19 98.33 2kvu n GLY 68 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kvu n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu n ALA 69 N -2.62 -1.23 -0.58 4.61 0.00 -1.26 -4.93 120.51 114.50 2kvu n ALA 69 Ca -0.02 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 2kvu n ALA 69 Cb 0.07 -0.78 0.28 0.00 0.00 0.00 0.00 19.45 19.01 2kvu n ALA 69 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kvu n PRO 70 N -1.45 -4.18 -3.25 0.00 -0.02 -1.26 -4.17 135.00 120.67 2kvu n PRO 70 Ca 0.00 -1.57 -0.23 0.00 -2.02 0.00 0.00 63.50 59.68 2kvu n PRO 70 Cb 0.08 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 2kvu n PRO 70 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kvu n LYS 71 N -5.40 -6.14 -3.48 -0.52 4.01 -1.26 -5.01 118.16 100.35 2kvu n LYS 71 Ca 0.14 0.88 -0.26 0.00 -0.51 0.00 0.00 58.31 58.57 2kvu n LYS 71 Cb 0.59 -5.83 -0.02 0.00 -0.51 0.00 0.00 35.03 29.26 2kvu n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kvu s ALA 72 N -3.24 3.73 0.62 7.82 0.00 -1.26 -5.07 121.76 124.37 2kvu s ALA 72 Ca 0.42 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.38 2kvu s ALA 72 Cb -0.18 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 2kvu s ALA 72 CO 0.52 0.18 0.97 -0.35 0.00 0.00 0.00 175.76 177.08 2kvu n PRO 73 N -1.25 0.83 -0.11 0.00 -0.04 -1.26 -4.90 135.00 128.28 2kvu n PRO 73 Ca -0.04 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2kvu n PRO 73 Cb 0.55 -2.19 0.24 0.00 -0.04 0.00 0.00 33.50 32.06 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kvu n ALA 74 N -1.88 2.49 -0.98 0.55 0.00 -1.26 -5.24 120.51 114.19 2kvu n ALA 74 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2kvu n ALA 74 Cb 0.48 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50