#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 3.96 2.45 3.17 0.00 -1.26 -4.94 105.19 108.57 2kvu n GLY 2 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.66 0.59 1.61 -0.00 -1.26 -4.84 115.22 110.66 2kvu n HIS 3 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2kvu n HIS 3 Cb 0.00 -3.73 0.17 0.00 -0.00 0.00 0.00 29.99 26.42 2kvu n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kvu n HIS 4 N -3.52 0.66 -1.92 4.41 -0.00 -1.26 -4.90 115.22 108.69 2kvu n HIS 4 Ca -0.23 -0.27 -0.41 0.00 -0.00 0.00 0.00 57.72 56.80 2kvu n HIS 4 Cb 0.68 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.99 30.53 2kvu n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvu s HIS 5 N -1.65 2.94 -0.28 1.57 5.65 -1.26 -4.86 115.29 117.39 2kvu s HIS 5 Ca 0.24 0.88 -0.28 0.00 0.25 0.00 0.00 55.06 56.15 2kvu s HIS 5 Cb 0.15 -3.92 -0.04 0.00 -1.18 0.00 0.00 32.58 27.59 2kvu s HIS 5 CO 0.12 -3.10 2.09 -1.01 -0.65 0.00 0.00 174.74 172.20 2kvu s HIS 6 N 0.17 1.37 -0.08 3.88 0.09 -1.26 -4.82 115.29 114.64 2kvu s HIS 6 Ca 0.62 0.65 0.29 0.00 -0.00 0.00 0.00 55.06 56.62 2kvu s HIS 6 Cb -0.44 -3.97 0.95 0.00 -0.00 0.00 0.00 32.58 29.12 2kvu s HIS 6 CO 0.43 -3.58 1.83 0.45 -0.00 0.00 0.00 174.74 173.87 2kvu h HIS 7 N 14.71 0.00 -3.40 1.40 -0.00 -1.96 -3.44 115.15 122.46 2kvu h HIS 7 Ca -0.37 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 59.65 2kvu h HIS 7 Cb 1.22 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.48 2kvu h HIS 7 CO 0.95 0.04 -0.68 -3.38 -0.00 0.00 0.00 177.93 174.86 2kvu s HIS 8 N -3.50 1.39 -0.05 2.45 -0.00 -1.26 -5.13 115.29 109.20 2kvu s HIS 8 Ca 0.03 -0.87 -0.29 0.00 -0.00 0.00 0.00 55.06 53.93 2kvu s HIS 8 Cb 0.08 -0.77 -0.02 0.00 -0.00 0.00 0.00 32.58 31.87 2kvu s HIS 8 CO 0.60 -0.01 0.96 0.45 -0.00 0.00 0.00 174.74 176.74 2kvu s SER 9 N -3.23 7.27 0.57 7.38 0.15 -1.26 -4.92 113.70 119.67 2kvu s SER 9 Ca 0.23 1.55 0.34 0.00 0.70 0.00 0.00 55.95 58.77 2kvu s SER 9 Cb 0.04 -2.55 1.72 0.00 -1.71 0.00 0.00 66.02 63.53 2kvu s SER 9 CO 0.05 -0.32 2.14 -0.74 1.20 0.00 0.00 173.24 175.56 2kvu h HIS 10 N 6.93 0.00 -3.70 3.44 2.76 -2.00 -3.30 115.15 119.28 2kvu h HIS 10 Ca -0.37 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 57.05 2kvu h HIS 10 Cb 1.19 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 29.85 2kvu h HIS 10 CO 0.69 0.05 -0.07 1.41 -1.30 0.00 0.00 177.93 178.71 2kvu s MET 11 N -4.04 3.23 0.01 5.26 1.75 -1.26 -5.02 119.30 119.23 2kvu s MET 11 Ca -0.02 -2.56 -0.03 0.00 -1.25 0.00 0.00 55.69 51.83 2kvu s MET 11 Cb 0.12 -4.15 -0.01 0.00 2.84 0.00 0.00 34.83 33.62 2kvu s MET 11 CO 0.52 -1.24 0.04 -1.54 -0.65 0.00 0.00 175.02 172.14 2kvu s SER 12 N 1.46 0.14 -0.27 1.11 1.04 -1.25 -5.14 113.70 110.79 2kvu s SER 12 Ca 0.19 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2kvu s SER 12 Cb -0.14 0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.19 2kvu s SER 12 CO -0.07 -0.30 -0.03 0.42 0.98 0.00 0.00 173.24 174.25 2kvu s THR 13 N -1.30 1.74 -0.54 2.02 -4.23 -1.26 -5.08 115.64 106.99 2kvu s THR 13 Ca -0.14 -1.56 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 2kvu s THR 13 Cb -0.08 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.72 2kvu s THR 13 CO -0.00 -0.26 1.13 -2.84 -0.54 0.00 0.00 174.62 172.12 2kvu s PRO 14 N 1.26 3.56 -0.24 3.99 0.02 -1.26 -4.98 135.00 137.35 2kvu s PRO 14 Ca -0.01 0.29 -0.05 0.00 0.02 0.00 0.00 61.00 61.24 2kvu s PRO 14 Cb -0.19 -3.98 0.12 0.00 0.02 0.00 0.00 34.50 30.47 2kvu s PRO 14 CO -0.08 -1.54 0.45 -1.17 -0.33 0.00 0.00 177.00 174.33 2kvu s LEU 15 N 4.61 -0.78 -0.46 -5.54 2.96 -1.26 -4.90 118.68 113.32 2kvu s LEU 15 Ca 0.43 0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 54.98 2kvu s LEU 15 Cb -0.08 1.47 0.06 0.00 0.50 0.00 0.00 46.19 48.14 2kvu s LEU 15 CO 0.27 -0.26 0.40 -0.89 -1.32 0.00 0.00 176.35 174.55 2kvu s THR 16 N 2.65 5.19 0.00 3.68 2.01 -1.26 -4.85 115.64 123.07 2kvu s THR 16 Ca 0.05 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2kvu s THR 16 Cb -0.13 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2kvu s THR 16 CO -0.15 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 173.85 2kvu n GLY 17 N 5.18 2.30 3.17 4.40 0.00 -1.26 -4.71 105.19 114.28 2kvu n GLY 17 Ca -0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2kvu n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvu s LYS 18 N 0.00 1.01 -0.17 1.61 -0.14 -1.26 -5.09 119.74 115.70 2kvu s LYS 18 Ca 0.00 -0.82 -0.28 0.00 -1.36 0.00 0.00 55.97 53.51 2kvu s LYS 18 Cb 0.00 -1.05 -0.06 0.00 -1.68 0.00 0.00 37.83 35.04 2kvu s LYS 18 CO 0.00 0.26 2.18 -2.30 -0.76 0.00 0.00 175.35 174.73 2kvu n PRO 19 N 1.82 2.14 0.00 -1.68 -0.02 -1.26 -1.68 135.00 134.31 2kvu n PRO 19 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2kvu n PRO 19 Cb 0.54 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 2kvu n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kvu n GLY 20 N 5.55 2.57 3.81 -1.23 0.00 -1.26 -5.11 105.19 109.52 2kvu n GLY 20 Ca 0.28 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.23 2.78 -0.04 4.61 0.00 -0.68 -5.00 121.76 123.20 2kvu s ALA 21 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.99 2kvu s ALA 21 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2kvu s ALA 21 CO 0.00 -0.84 0.73 -0.51 0.00 0.00 0.00 175.76 175.14 2kvu s LEU 22 N -4.74 4.35 0.31 0.00 1.43 -1.26 -4.65 118.68 114.13 2kvu s LEU 22 Ca 0.61 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 2kvu s LEU 22 Cb -0.15 -3.14 -0.10 0.00 0.03 0.00 0.00 46.19 42.83 2kvu s LEU 22 CO 0.41 -0.09 1.24 -2.16 0.23 0.00 0.00 176.35 175.98 2kvu s PRO 23 N 0.62 4.44 0.00 1.29 0.04 -1.26 -4.72 135.00 135.41 2kvu s PRO 23 Ca 0.39 2.09 0.11 0.00 0.04 0.00 0.00 61.00 63.63 2kvu s PRO 23 Cb -0.18 -3.11 0.67 0.00 0.04 0.00 0.00 34.50 31.92 2kvu s PRO 23 CO 0.20 -0.07 1.17 0.00 0.04 0.00 0.00 177.00 178.34 2kvu n ALA 24 N 0.95 2.20 -0.74 8.56 0.00 -1.26 -2.60 120.51 127.62 2kvu n ALA 24 Ca -0.00 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2kvu n ALA 24 Cb 0.43 -1.18 0.30 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.78 4.37 -0.22 0.00 4.13 -1.26 -4.60 115.26 116.90 2kvu n ASN 25 Ca 0.08 -2.68 0.01 0.00 1.68 0.00 0.00 54.58 53.68 2kvu n ASN 25 Cb 0.04 -0.53 0.13 0.00 -1.54 0.00 0.00 39.78 37.87 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 2.94 0.26 -1.75 3.41 3.38 -1.89 -0.59 115.31 121.06 2kvu h LEU 26 Ca 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kvu h LEU 26 Cb 1.45 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 2kvu h LEU 26 CO 0.25 0.14 -0.17 0.44 0.09 0.00 0.00 178.44 179.19 2kvu h ASP 27 N 0.44 0.00 0.57 -0.43 3.32 -1.89 -2.82 116.42 115.61 2kvu h ASP 27 Ca 0.34 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.10 2kvu h ASP 27 Cb 0.43 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2kvu h ASP 27 CO -0.33 0.17 -1.53 -0.78 -1.72 0.00 0.00 179.24 175.05 2kvu h ASP 28 N 0.00 0.13 -4.23 6.45 3.58 -1.50 -3.47 116.42 117.38 2kvu h ASP 28 Ca -0.00 -0.21 -0.51 0.00 0.42 0.00 0.00 57.03 56.74 2kvu h ASP 28 Cb 0.37 -0.04 0.15 0.00 1.72 0.00 0.00 39.33 41.53 2kvu h ASP 28 CO 0.02 1.18 0.27 -0.04 -2.88 0.00 0.00 179.24 177.79 2kvu s MET 29 N -2.62 1.69 0.64 0.28 -1.94 -0.47 -5.02 119.30 111.86 2kvu s MET 29 Ca -0.06 1.18 -0.10 0.00 -1.71 0.00 0.00 55.69 55.01 2kvu s MET 29 Cb 0.08 -1.83 -0.01 0.00 2.01 0.00 0.00 34.83 35.08 2kvu s MET 29 CO 0.83 -2.05 1.02 0.15 -0.01 0.00 0.00 175.02 174.96 2kvu s LYS 30 N -4.84 3.16 0.27 2.03 1.02 -1.26 -4.90 119.74 115.22 2kvu s LYS 30 Ca 0.63 0.46 -0.01 0.00 0.02 0.00 0.00 55.97 57.07 2kvu s LYS 30 Cb -0.19 -2.11 0.48 0.00 -0.52 0.00 0.00 37.83 35.49 2kvu s LYS 30 CO 0.57 -0.77 1.84 0.28 -0.92 0.00 0.00 175.35 176.35 2kvu h VAL 31 N -0.40 0.95 -0.45 3.17 2.07 -1.96 -1.20 116.25 118.43 2kvu h VAL 31 Ca -0.45 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2kvu h VAL 31 Cb 1.23 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kvu h VAL 31 CO 0.63 0.18 0.09 0.00 0.02 0.00 0.00 177.57 178.49 2kvu h ALA 32 N 1.50 1.32 -0.42 1.67 0.00 -1.99 -1.51 119.26 119.83 2kvu h ALA 32 Ca 0.46 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2kvu h ALA 32 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kvu h ALA 32 CO -0.24 0.48 -0.18 0.93 0.00 0.00 0.00 179.25 180.24 2kvu h GLU 33 N 0.66 0.86 -0.52 0.00 4.39 -1.61 -2.13 114.58 116.23 2kvu h GLU 33 Ca 0.15 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2kvu h GLU 33 Cb 0.27 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2kvu h GLU 33 CO -0.00 1.00 0.27 -0.07 -1.16 0.00 0.00 179.01 179.06 2kvu h LEU 34 N 0.68 0.65 -1.65 1.33 3.38 -0.96 -2.17 115.31 116.56 2kvu h LEU 34 Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2kvu h LEU 34 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2kvu h LEU 34 CO 0.06 0.57 -0.19 0.11 0.09 0.00 0.00 178.44 179.08 2kvu h LYS 35 N 0.69 0.00 -0.64 1.13 1.57 -1.14 0.32 116.57 118.49 2kvu h LYS 35 Ca 0.18 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2kvu h LYS 35 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2kvu h LYS 35 CO -0.03 0.19 0.22 1.96 -0.57 0.00 0.00 179.45 181.22 2kvu h GLN 36 N 0.00 0.99 -0.11 3.15 1.08 -0.75 -1.84 115.11 117.64 2kvu h GLN 36 Ca -0.00 -0.20 -0.20 0.00 -1.45 0.00 0.00 58.65 56.79 2kvu h GLN 36 Cb 0.34 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2kvu h GLN 36 CO 0.02 0.85 -0.73 0.93 -0.95 0.00 0.00 178.83 178.96 2kvu h GLU 37 N 0.92 0.69 -0.01 1.46 5.08 -1.04 -3.15 114.58 118.53 2kvu h GLU 37 Ca 0.21 -0.59 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2kvu h GLU 37 Cb 0.26 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2kvu h GLU 37 CO -0.01 1.20 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.88 2kvu h LEU 38 N 0.36 -0.75 -1.85 1.33 3.38 -0.85 -0.10 115.31 116.83 2kvu h LEU 38 Ca -0.06 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kvu h LEU 38 Cb 1.37 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2kvu h LEU 38 CO 0.15 -0.32 0.01 0.07 0.09 0.00 0.00 178.44 178.44 2kvu h LYS 39 N -0.39 0.10 0.00 1.13 2.10 -1.40 0.32 116.57 118.43 2kvu h LYS 39 Ca 0.06 -0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.57 2kvu h LYS 39 Cb 0.48 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 2kvu h LYS 39 CO -0.23 0.10 -0.65 -0.07 -2.00 0.00 0.00 179.45 176.60 2kvu h LEU 40 N 0.10 0.00 -3.20 7.07 3.38 -1.33 -3.14 115.31 118.19 2kvu h LEU 40 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kvu h LEU 40 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kvu h LEU 40 CO -0.00 0.65 0.00 0.54 0.09 0.00 0.00 178.44 179.72 2kvu n ARG 41 N -3.34 4.10 -2.36 1.13 1.74 -0.12 -4.91 116.66 112.90 2kvu n ARG 41 Ca 0.01 -2.88 -0.15 0.00 -0.77 0.00 0.00 57.85 54.05 2kvu n ARG 41 Cb 0.76 -2.03 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2kvu n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kvu n SER 42 N 0.91 -4.60 -4.67 0.55 2.88 -0.76 -5.00 113.62 102.93 2kvu n SER 42 Ca 0.26 -0.04 -0.31 0.00 -1.33 0.00 0.00 58.87 57.45 2kvu n SER 42 Cb 0.99 -3.70 -0.08 0.00 -0.75 0.00 0.00 64.21 60.66 2kvu n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kvu s LEU 43 N -4.42 3.44 0.41 2.46 1.43 1.00 -5.00 118.68 117.99 2kvu s LEU 43 Ca 0.03 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.73 2kvu s LEU 43 Cb -0.01 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 2kvu s LEU 43 CO 0.04 0.21 1.41 -2.84 0.23 0.00 0.00 176.35 175.39 2kvu s PRO 44 N -2.04 3.94 -0.03 1.29 0.02 -1.26 -3.64 135.00 133.29 2kvu s PRO 44 Ca 0.23 2.39 0.18 0.00 0.02 0.00 0.00 61.00 63.83 2kvu s PRO 44 Cb -0.12 -2.81 -0.29 0.00 0.02 0.00 0.00 34.50 31.31 2kvu s PRO 44 CO 0.15 -0.60 0.41 1.33 -0.33 0.00 0.00 177.00 177.96 2kvu n VAL 45 N 0.17 0.00 -2.51 3.83 0.24 -1.26 -4.87 118.33 113.93 2kvu n VAL 45 Ca 0.03 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 2kvu n VAL 45 Cb 0.41 0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2kvu n VAL 45 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kvu s SER 46 N -4.11 6.39 0.00 -1.34 0.01 -1.26 -4.88 113.70 108.51 2kvu s SER 46 Ca -0.07 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2kvu s SER 46 Cb 0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2kvu s SER 46 CO 0.76 -1.49 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2kvu n GLY 47 N 5.08 -1.28 3.92 3.44 0.00 -1.26 -5.06 105.19 110.02 2kvu n GLY 47 Ca 0.11 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.71 4.99 0.23 2.61 -4.23 -1.26 -4.90 115.64 110.37 2kvu s THR 48 Ca 0.00 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 2kvu s THR 48 Cb 0.00 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 70.20 2kvu s THR 48 CO 0.00 -0.66 1.69 0.50 -0.54 0.00 0.00 174.62 175.60 2kvu h LYS 49 N 0.64 0.23 0.01 3.99 3.64 -1.98 -0.06 116.57 123.04 2kvu h LYS 49 Ca -0.48 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kvu h LYS 49 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2kvu h LYS 49 CO 0.62 0.16 -0.00 1.15 -2.27 0.00 0.00 179.45 179.10 2kvu h THR 50 N 0.24 1.05 -0.77 1.00 2.02 -2.00 -2.24 112.91 112.21 2kvu h THR 50 Ca 0.36 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2kvu h THR 50 Cb 0.59 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 2kvu h THR 50 CO -0.47 0.05 0.41 -0.33 0.37 0.00 0.00 175.52 175.55 2kvu h GLU 51 N -0.09 1.07 -0.28 6.66 4.39 -1.72 -0.11 114.58 124.51 2kvu h GLU 51 Ca -0.00 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2kvu h GLU 51 Cb 0.09 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2kvu h GLU 51 CO 0.00 0.79 0.16 -0.07 -1.16 0.00 0.00 179.01 178.74 2kvu h LEU 52 N 1.08 0.34 -0.08 1.33 3.38 -0.86 0.16 115.31 120.66 2kvu h LEU 52 Ca 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kvu h LEU 52 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kvu h LEU 52 CO -0.04 0.30 0.03 0.40 0.09 0.00 0.00 178.44 179.22 2kvu h ILE 53 N 0.34 1.14 -0.96 1.22 2.04 -0.93 -2.23 117.51 118.12 2kvu h ILE 53 Ca 0.10 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2kvu h ILE 53 Cb 0.03 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2kvu h ILE 53 CO -0.02 0.12 0.62 -0.33 0.00 0.00 0.00 178.15 178.54 2kvu h GLU 54 N -0.02 1.28 -0.38 2.37 3.07 -0.86 -2.18 114.58 117.87 2kvu h GLU 54 Ca 0.03 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 2kvu h GLU 54 Cb 0.16 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 2kvu h GLU 54 CO -0.00 0.86 -0.13 -0.09 -1.40 0.00 0.00 179.01 178.25 2kvu h ARG 55 N 1.31 0.67 -0.54 2.33 2.43 -0.55 -0.39 114.38 119.64 2kvu h ARG 55 Ca 0.35 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2kvu h ARG 55 Cb -0.13 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2kvu h ARG 55 CO -0.07 0.77 0.30 -0.07 -1.51 0.00 0.00 179.97 179.39 2kvu h LEU 56 N 0.61 0.68 -0.46 3.80 3.38 -0.87 -0.16 115.31 122.29 2kvu h LEU 56 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2kvu h LEU 56 Cb 0.57 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2kvu h LEU 56 CO 0.04 0.57 0.01 0.03 0.09 0.00 0.00 178.44 179.17 2kvu h ARG 57 N 0.73 0.80 -0.37 1.13 3.08 -0.88 -2.06 114.38 116.81 2kvu h ARG 57 Ca 0.19 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 2kvu h ARG 57 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2kvu h ARG 57 CO -0.03 0.86 -0.15 0.00 -1.07 0.00 0.00 179.97 179.58 2kvu h ALA 58 N 0.92 1.06 0.44 0.04 0.00 -0.95 -1.08 119.26 119.69 2kvu h ALA 58 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2kvu h ALA 58 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kvu h ALA 58 CO 0.02 0.57 -0.21 -0.92 0.00 0.00 0.00 179.25 178.71 2kvu h TYR 59 N 0.60 -0.55 -0.48 0.00 3.20 -0.78 -2.55 116.97 116.41 2kvu h TYR 59 Ca 0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2kvu h TYR 59 Cb 0.60 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2kvu h TYR 59 CO 0.03 -0.31 0.15 1.96 -1.64 0.00 0.00 178.16 178.35 2kvu h GLN 60 N -0.67 0.70 -0.55 1.82 1.08 -1.31 -2.85 115.11 113.33 2kvu h GLN 60 Ca -0.06 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2kvu h GLN 60 Cb 0.49 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2kvu h GLN 60 CO 0.10 0.62 0.25 0.22 -0.95 0.00 0.00 178.83 179.07 2kvu h ASP 61 N 0.69 0.73 1.43 1.46 3.58 -1.08 -2.64 116.42 120.60 2kvu h ASP 61 Ca 0.16 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kvu h ASP 61 Cb 0.21 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2kvu h ASP 61 CO -0.01 0.67 -0.01 0.00 -2.88 0.00 0.00 179.24 177.01 2kvu n GLN 62 N -4.55 0.24 0.12 0.28 10.64 -0.97 -3.68 117.38 119.46 2kvu n GLN 62 Ca 0.03 0.20 -0.07 0.00 -1.83 0.00 0.00 57.00 55.33 2kvu n GLN 62 Cb 0.13 -1.78 -0.03 0.00 -0.86 0.00 0.00 30.24 27.70 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 0.07 -2.39 -0.39 2.04 -1.25 -3.51 117.51 112.09 2kvu h ILE 63 Ca 0.00 -0.75 0.24 0.00 1.00 0.00 0.00 64.86 65.36 2kvu h ILE 63 Cb 0.72 0.12 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 2kvu h ILE 63 CO 0.00 0.02 -0.83 -1.20 0.00 0.00 0.00 178.15 176.14 2kvu n SER 64 N -5.03 -5.49 -4.60 1.72 7.64 -1.08 -4.65 113.62 102.12 2kvu n SER 64 Ca -0.05 0.95 -0.43 0.00 1.01 0.00 0.00 58.87 60.35 2kvu n SER 64 Cb 0.17 -3.38 -0.03 0.00 -1.01 0.00 0.00 64.21 59.97 2kvu n SER 64 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2kvu s PRO 65 N -3.71 3.31 -0.23 1.43 0.02 -1.26 -4.96 135.00 129.60 2kvu s PRO 65 Ca 0.00 1.72 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 2kvu s PRO 65 Cb 0.00 -4.26 0.07 0.00 0.02 0.00 0.00 34.50 30.33 2kvu s PRO 65 CO 0.00 -1.89 0.01 0.14 -0.33 0.00 0.00 177.00 174.93 2kvu s VAL 66 N 7.27 0.98 0.08 3.83 -7.23 -1.26 -4.98 120.40 119.09 2kvu s VAL 66 Ca 0.88 -0.95 0.09 0.00 -1.81 0.00 0.00 61.98 60.20 2kvu s VAL 66 Cb -0.27 -1.43 -0.12 0.00 0.56 0.00 0.00 36.38 35.11 2kvu s VAL 66 CO 0.34 -0.24 1.36 -0.65 -0.31 0.00 0.00 175.10 175.61 2kvu h PRO 67 N 8.10 0.00 0.00 4.82 0.11 -2.00 -3.36 132.00 139.68 2kvu h PRO 67 Ca -0.16 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 2kvu h PRO 67 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2kvu h PRO 67 CO 0.39 0.84 -1.54 0.41 -0.21 0.00 0.00 178.00 177.88 2kvu n GLY 68 N 1.18 -0.45 1.32 -0.55 0.00 -1.26 -5.12 105.19 100.32 2kvu n GLY 68 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.09 -2.44 -1.42 4.61 0.00 -1.26 -4.98 120.51 112.93 2kvu n ALA 69 Ca -0.08 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 2kvu n ALA 69 Cb 0.53 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.98 2kvu n ALA 69 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kvu s PRO 70 N -2.01 2.61 -0.62 0.00 0.04 -1.26 -4.95 135.00 128.82 2kvu s PRO 70 Ca 0.00 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.98 2kvu s PRO 70 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.62 2kvu s PRO 70 CO 0.00 -1.37 1.44 0.15 0.04 0.00 0.00 177.00 177.25 2kvu s LYS 71 N -4.58 3.18 -0.07 4.56 3.01 -1.26 -4.96 119.74 119.62 2kvu s LYS 71 Ca 0.63 0.28 -0.06 0.00 -1.01 0.00 0.00 55.97 55.81 2kvu s LYS 71 Cb -0.18 -4.17 0.02 0.00 -1.01 0.00 0.00 37.83 32.49 2kvu s LYS 71 CO 0.49 -2.10 0.18 0.00 0.51 0.00 0.00 175.35 174.43 2kvu s ALA 72 N 6.37 -0.45 1.00 5.17 0.00 -1.26 -5.17 121.76 127.43 2kvu s ALA 72 Ca 0.50 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2kvu s ALA 72 Cb -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2kvu s ALA 72 CO 0.22 -0.09 0.00 -2.30 0.00 0.00 0.00 175.76 173.59 2kvu n PRO 73 N 3.00 -0.43 -2.12 0.00 -0.02 -1.26 -5.06 135.00 129.11 2kvu n PRO 73 Ca -0.13 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.08 2kvu n PRO 73 Cb 0.59 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.17 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kvu s ALA 74 N -3.10 2.92 -1.43 3.55 0.00 -1.26 -5.24 121.76 117.20 2kvu s ALA 74 Ca 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 51.96 51.08 2kvu s ALA 74 Cb 0.00 -2.66 0.09 0.00 0.00 0.00 0.00 23.12 20.55 2kvu s ALA 74 CO 0.00 -1.62 0.86 0.00 0.00 0.00 0.00 175.76 175.00