#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 1.85 3.34 3.03 0.00 -1.26 -5.08 105.19 107.07 2kvu n GLY 2 Ca 0.00 0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.82 2kvu n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kvu s HIS 3 N 0.00 4.03 -0.30 1.61 0.09 -1.26 -4.89 115.29 114.57 2kvu s HIS 3 Ca 0.00 -2.36 -0.13 0.00 -0.00 0.00 0.00 55.06 52.57 2kvu s HIS 3 Cb 0.00 -3.85 0.18 0.00 -0.00 0.00 0.00 32.58 28.91 2kvu s HIS 3 CO 0.00 -0.98 1.07 -1.58 -0.00 0.00 0.00 174.74 173.24 2kvu s HIS 4 N -0.54 -0.47 -0.23 1.40 2.46 -1.26 -5.13 115.29 111.51 2kvu s HIS 4 Ca 0.25 0.42 -0.04 0.00 0.47 0.00 0.00 55.06 56.17 2kvu s HIS 4 Cb -0.10 0.14 0.09 0.00 -0.13 0.00 0.00 32.58 32.58 2kvu s HIS 4 CO -0.08 -0.26 0.15 -3.38 -2.47 0.00 0.00 174.74 168.69 2kvu s HIS 5 N 2.96 0.08 -0.86 3.88 -0.00 -1.26 -5.08 115.29 115.01 2kvu s HIS 5 Ca 0.07 -0.42 -0.25 0.00 -0.00 0.00 0.00 55.06 54.47 2kvu s HIS 5 Cb -0.07 -0.69 -0.03 0.00 -0.00 0.00 0.00 32.58 31.79 2kvu s HIS 5 CO -0.14 -0.69 1.84 -1.58 -0.00 0.00 0.00 174.74 174.16 2kvu s HIS 6 N 2.18 1.90 -0.33 0.38 2.46 -1.26 -4.75 115.29 115.87 2kvu s HIS 6 Ca 0.06 0.44 -0.02 0.00 0.47 0.00 0.00 55.06 56.01 2kvu s HIS 6 Cb -0.16 -4.16 0.19 0.00 -0.13 0.00 0.00 32.58 28.32 2kvu s HIS 6 CO -0.23 -1.88 0.83 -1.58 -2.47 0.00 0.00 174.74 169.41 2kvu s HIS 7 N 9.06 -1.11 -0.58 3.88 5.65 -1.26 -5.12 115.29 125.81 2kvu s HIS 7 Ca 0.65 0.40 -0.28 0.00 0.25 0.00 0.00 55.06 56.08 2kvu s HIS 7 Cb -0.07 0.20 0.03 0.00 -1.18 0.00 0.00 32.58 31.55 2kvu s HIS 7 CO 0.02 -0.70 1.26 -1.58 -0.65 0.00 0.00 174.74 173.09 2kvu s HIS 8 N 2.37 2.50 -0.16 3.88 5.65 -1.26 -4.81 115.29 123.45 2kvu s HIS 8 Ca 0.17 0.40 -0.06 0.00 0.25 0.00 0.00 55.06 55.82 2kvu s HIS 8 Cb -0.03 -4.49 -0.08 0.00 -1.18 0.00 0.00 32.58 26.80 2kvu s HIS 8 CO -0.17 -1.73 -0.20 -1.13 -0.65 0.00 0.00 174.74 170.86 2kvu n SER 9 N 8.81 1.52 -1.96 9.88 3.41 -1.26 -5.00 113.62 129.03 2kvu n SER 9 Ca 0.09 0.14 -0.19 0.00 -0.26 0.00 0.00 58.87 58.66 2kvu n SER 9 Cb 0.49 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 2kvu n SER 9 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2kvu n HIS 10 N -3.56 -0.69 1.26 7.33 -0.00 -1.26 -4.87 115.22 113.42 2kvu n HIS 10 Ca -0.31 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.54 2kvu n HIS 10 Cb 0.74 -3.53 0.36 0.00 -0.00 0.00 0.00 29.99 27.56 2kvu n HIS 10 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2kvu n MET 11 N -2.71 1.03 -3.86 1.57 0.00 -1.26 -4.77 117.12 107.11 2kvu n MET 11 Ca -0.21 -0.63 -0.36 0.00 -0.00 0.00 0.00 57.70 56.50 2kvu n MET 11 Cb 0.65 -1.49 -0.11 0.00 0.00 0.00 0.00 33.22 32.28 2kvu n MET 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2kvu s SER 12 N -2.41 5.48 -0.13 6.12 0.15 -1.26 -5.09 113.70 116.56 2kvu s SER 12 Ca 0.26 -0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.79 2kvu s SER 12 Cb 0.19 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 2kvu s SER 12 CO 0.49 0.06 0.14 0.42 1.20 0.00 0.00 173.24 175.56 2kvu s THR 13 N 1.05 5.49 0.09 6.45 -4.23 -1.26 -5.06 115.64 118.16 2kvu s THR 13 Ca 0.05 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 2kvu s THR 13 Cb -0.14 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 2kvu s THR 13 CO 0.03 0.60 1.64 -2.84 -0.54 0.00 0.00 174.62 173.51 2kvu s PRO 14 N -0.89 4.20 -0.03 3.99 0.02 -1.26 -5.01 135.00 136.02 2kvu s PRO 14 Ca 0.14 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.52 2kvu s PRO 14 Cb -0.12 -3.50 0.02 0.00 0.02 0.00 0.00 34.50 30.92 2kvu s PRO 14 CO 0.04 -0.71 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.80 2kvu s LEU 15 N 2.31 1.33 0.05 -5.54 2.96 -1.26 -5.03 118.68 113.50 2kvu s LEU 15 Ca 0.73 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.37 2kvu s LEU 15 Cb -0.41 -0.34 -0.15 0.00 0.50 0.00 0.00 46.19 45.80 2kvu s LEU 15 CO 0.32 -0.06 1.30 0.74 -1.32 0.00 0.00 176.35 177.33 2kvu h THR 16 N 6.10 1.36 0.00 3.68 2.02 -1.95 -3.48 112.91 120.64 2kvu h THR 16 Ca -0.40 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.22 2kvu h THR 16 Cb 1.15 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2kvu h THR 16 CO 0.48 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.45 2kvu n GLY 17 N 0.42 1.93 3.80 2.16 0.00 -1.26 -5.11 105.19 107.12 2kvu n GLY 17 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.40 4.39 0.55 1.61 -0.14 -1.26 -5.02 119.74 119.48 2kvu s LYS 18 Ca 0.00 1.20 -0.21 0.00 -1.36 0.00 0.00 55.97 55.60 2kvu s LYS 18 Cb 0.00 -2.47 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 2kvu s LYS 18 CO 0.00 0.12 1.30 -2.14 -0.76 0.00 0.00 175.35 173.87 2kvu s PRO 19 N -2.66 3.12 -0.33 -1.68 0.02 -1.26 -4.91 135.00 127.31 2kvu s PRO 19 Ca 0.56 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.64 2kvu s PRO 19 Cb -0.13 -2.18 0.04 0.00 0.02 0.00 0.00 34.50 32.24 2kvu s PRO 19 CO 0.18 -1.16 2.72 0.41 -0.33 0.00 0.00 177.00 178.82 2kvu n GLY 20 N 0.68 3.99 3.16 0.52 0.00 -1.26 -4.87 105.19 107.40 2kvu n GLY 20 Ca 0.11 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.20 0.07 0.02 4.61 0.00 -1.26 -4.89 121.76 119.10 2kvu s ALA 21 Ca 0.52 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2kvu s ALA 21 Cb 0.33 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 2kvu s ALA 21 CO -0.13 -0.45 -0.24 -0.51 0.00 0.00 0.00 175.76 174.44 2kvu s LEU 22 N -2.86 2.12 0.50 0.00 1.43 -1.26 -5.11 118.68 113.50 2kvu s LEU 22 Ca 0.05 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 2kvu s LEU 22 Cb 0.06 -1.18 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 2kvu s LEU 22 CO -0.10 0.25 1.03 -2.16 0.23 0.00 0.00 176.35 175.59 2kvu s PRO 23 N -0.95 3.77 -0.03 1.29 0.04 -1.26 -4.94 135.00 132.92 2kvu s PRO 23 Ca 0.10 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2kvu s PRO 23 Cb -0.09 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.45 2kvu s PRO 23 CO 0.01 -0.44 0.71 0.00 0.04 0.00 0.00 177.00 177.32 2kvu n ALA 24 N -1.18 2.66 -1.88 8.56 0.00 -1.26 -3.37 120.51 124.03 2kvu n ALA 24 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 2kvu n ALA 24 Cb 0.53 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 19.09 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 0.04 2.61 0.25 0.00 4.13 -1.26 -4.78 115.26 116.26 2kvu n ASN 25 Ca 0.04 -3.57 0.09 0.00 1.68 0.00 0.00 54.58 52.81 2kvu n ASN 25 Cb 0.34 -0.45 0.64 0.00 -1.54 0.00 0.00 39.78 38.77 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 1.45 0.00 0.00 3.41 3.38 -1.93 -0.92 115.31 120.70 2kvu h LEU 26 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2kvu h LEU 26 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2kvu h LEU 26 CO 0.25 0.07 -0.62 -0.78 0.09 0.00 0.00 178.44 177.45 2kvu h ASP 27 N 0.00 0.00 0.56 -0.43 3.58 -1.91 -2.90 116.42 115.31 2kvu h ASP 27 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2kvu h ASP 27 Cb 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kvu h ASP 27 CO 0.01 0.47 -0.39 0.44 -2.88 0.00 0.00 179.24 176.89 2kvu h ASP 28 N 0.00 0.00 -4.22 2.28 3.32 -1.56 -3.44 116.42 112.80 2kvu h ASP 28 Ca -0.03 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.53 2kvu h ASP 28 Cb 1.38 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.01 2kvu h ASP 28 CO 0.06 0.39 0.37 -0.04 -1.72 0.00 0.00 179.24 178.30 2kvu s MET 29 N -3.91 3.17 0.82 3.56 -1.94 -0.79 -5.05 119.30 115.17 2kvu s MET 29 Ca -0.02 1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 55.02 2kvu s MET 29 Cb 0.13 -2.01 0.08 0.00 2.01 0.00 0.00 34.83 35.04 2kvu s MET 29 CO 0.70 -0.93 1.15 0.15 -0.01 0.00 0.00 175.02 176.09 2kvu s LYS 30 N -4.26 1.92 0.15 2.03 1.02 -1.26 -4.91 119.74 114.43 2kvu s LYS 30 Ca 0.63 0.24 -0.14 0.00 0.02 0.00 0.00 55.97 56.72 2kvu s LYS 30 Cb -0.16 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2kvu s LYS 30 CO 0.41 -1.65 1.65 0.28 -0.92 0.00 0.00 175.35 175.12 2kvu h VAL 31 N -1.10 1.24 -0.73 3.17 2.07 -1.96 -1.99 116.25 116.96 2kvu h VAL 31 Ca -0.47 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2kvu h VAL 31 Cb 1.31 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2kvu h VAL 31 CO 0.64 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.91 2kvu h ALA 32 N 0.98 1.29 -0.14 1.67 0.00 -1.99 -0.76 119.26 120.30 2kvu h ALA 32 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kvu h ALA 32 Cb 0.34 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2kvu h ALA 32 CO 0.00 0.56 -0.05 0.93 0.00 0.00 0.00 179.25 180.70 2kvu h GLU 33 N 1.02 -0.02 -0.58 0.00 4.39 -1.84 0.47 114.58 118.02 2kvu h GLU 33 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2kvu h GLU 33 Cb 0.06 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2kvu h GLU 33 CO -0.04 -0.01 0.35 -0.07 -1.16 0.00 0.00 179.01 178.07 2kvu h LEU 34 N -0.02 0.70 -0.84 1.33 3.38 -0.91 -2.05 115.31 116.90 2kvu h LEU 34 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 34 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2kvu h LEU 34 CO -0.16 0.56 0.47 0.11 0.09 0.00 0.00 178.44 179.50 2kvu h LYS 35 N 0.78 1.16 -0.31 1.13 1.57 -0.76 0.15 116.57 120.29 2kvu h LYS 35 Ca 0.21 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kvu h LYS 35 Cb -0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2kvu h LYS 35 CO -0.04 0.84 0.20 1.96 -0.57 0.00 0.00 179.45 181.84 2kvu h GLN 36 N 1.16 0.42 -0.27 3.15 1.08 -0.57 0.53 115.11 120.60 2kvu h GLN 36 Ca 0.30 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 2kvu h GLN 36 Cb 0.01 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2kvu h GLN 36 CO -0.05 0.30 -0.02 0.93 -0.95 0.00 0.00 178.83 179.04 2kvu h GLU 37 N 0.41 0.42 0.48 1.46 4.39 -0.93 -1.83 114.58 118.99 2kvu h GLU 37 Ca 0.11 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2kvu h GLU 37 Cb -0.02 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2kvu h GLU 37 CO -0.02 0.46 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.99 2kvu h LEU 38 N 0.40 -0.55 -1.86 1.33 3.38 -0.44 -3.08 115.31 114.49 2kvu h LEU 38 Ca 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 38 Cb 0.30 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kvu h LEU 38 CO 0.01 -0.15 -0.14 0.07 0.09 0.00 0.00 178.44 178.33 2kvu h LYS 39 N -1.07 0.00 0.00 1.13 2.10 -0.82 0.24 116.57 118.14 2kvu h LYS 39 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2kvu h LYS 39 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2kvu h LYS 39 CO 0.11 0.14 -0.05 1.28 -2.00 0.00 0.00 179.45 178.93 2kvu n LEU 40 N -3.81 0.16 -0.48 7.07 4.77 -0.70 -3.06 117.00 120.96 2kvu n LEU 40 Ca -0.02 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2kvu n LEU 40 Cb 0.24 -0.45 0.18 0.00 -2.33 0.00 0.00 43.42 41.06 2kvu n LEU 40 CO 0.32 -0.02 0.63 0.54 -1.33 0.00 0.00 177.39 177.53 2kvu n ARG 41 N -1.62 2.28 -1.18 3.23 1.74 0.27 -4.95 116.66 116.43 2kvu n ARG 41 Ca 0.07 -2.57 -0.06 0.00 -0.77 0.00 0.00 57.85 54.52 2kvu n ARG 41 Cb 0.35 -1.60 -0.03 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 -0.79 -4.15 -4.87 0.55 2.88 -0.88 -5.00 113.62 101.36 2kvu n SER 42 Ca 0.17 0.15 -0.35 0.00 -1.33 0.00 0.00 58.87 57.51 2kvu n SER 42 Cb 0.70 -2.19 -0.05 0.00 -0.75 0.00 0.00 64.21 61.92 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 -1.40 4.36 0.35 2.46 1.43 0.57 -4.97 118.68 121.48 2kvu s LEU 43 Ca 0.00 0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 2kvu s LEU 43 Cb 0.00 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 2kvu s LEU 43 CO 0.00 0.19 1.37 -2.16 0.23 0.00 0.00 176.35 175.98 2kvu s PRO 44 N -1.85 4.26 0.00 1.29 0.04 -1.26 -3.28 135.00 134.19 2kvu s PRO 44 Ca 0.32 2.34 0.22 0.00 0.04 0.00 0.00 61.00 63.92 2kvu s PRO 44 Cb -0.14 -3.03 0.19 0.00 0.04 0.00 0.00 34.50 31.57 2kvu s PRO 44 CO 0.18 -0.32 1.22 1.33 0.04 0.00 0.00 177.00 179.45 2kvu n VAL 45 N 0.66 0.03 -2.82 -0.36 0.24 -1.26 -4.85 118.33 109.96 2kvu n VAL 45 Ca 0.00 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 2kvu n VAL 45 Cb 0.41 1.44 -0.04 0.00 -1.47 0.00 0.00 33.84 34.19 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 -1.85 7.19 0.00 -1.34 0.01 -1.26 -4.89 113.70 111.56 2kvu s SER 46 Ca 0.27 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.97 2kvu s SER 46 Cb 0.19 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2kvu s SER 46 CO 0.28 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2kvu n GLY 47 N 3.06 2.04 3.97 3.44 0.00 -1.26 -4.90 105.19 111.54 2kvu n GLY 47 Ca 0.04 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.86 2.00 0.12 2.61 -4.23 -1.26 -4.79 115.64 108.24 2kvu s THR 48 Ca 0.00 -0.29 -0.27 0.00 -1.18 0.00 0.00 61.69 59.95 2kvu s THR 48 Cb 0.00 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2kvu s THR 48 CO 0.00 0.00 1.62 0.50 -0.54 0.00 0.00 174.62 176.20 2kvu h LYS 49 N -1.25 -0.44 -0.53 3.99 1.63 -2.00 -0.83 116.57 117.15 2kvu h LYS 49 Ca -0.39 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.36 2kvu h LYS 49 Cb 1.23 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 2kvu h LYS 49 CO 0.34 -0.29 0.01 1.15 -3.45 0.00 0.00 179.45 177.21 2kvu h THR 50 N -0.45 1.25 -0.63 1.00 2.02 -2.00 -2.61 112.91 111.49 2kvu h THR 50 Ca 0.06 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 2kvu h THR 50 Cb 0.54 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2kvu h THR 50 CO -0.26 0.37 0.20 -0.33 0.37 0.00 0.00 175.52 175.87 2kvu h GLU 51 N 0.82 0.98 -0.64 6.66 5.08 -1.80 0.44 114.58 126.12 2kvu h GLU 51 Ca 0.16 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2kvu h GLU 51 Cb 0.47 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2kvu h GLU 51 CO 0.02 0.86 0.22 -0.07 -1.00 0.00 0.00 179.01 179.04 2kvu h LEU 52 N 0.91 0.92 -0.14 1.33 3.38 -0.99 0.48 115.31 121.19 2kvu h LEU 52 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kvu h LEU 52 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kvu h LEU 52 CO -0.01 0.87 0.08 0.40 0.09 0.00 0.00 178.44 179.87 2kvu h ILE 53 N 0.92 1.09 -0.83 1.22 2.04 -1.11 -2.00 117.51 118.82 2kvu h ILE 53 Ca 0.21 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2kvu h ILE 53 Cb 0.27 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2kvu h ILE 53 CO -0.01 0.08 0.42 -0.08 0.00 0.00 0.00 178.15 178.56 2kvu h GLU 54 N 0.14 1.19 -0.68 2.37 4.57 -0.64 -0.50 114.58 121.02 2kvu h GLU 54 Ca 0.05 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2kvu h GLU 54 Cb 0.06 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 2kvu h GLU 54 CO -0.01 0.90 0.31 -0.09 -1.18 0.00 0.00 179.01 178.94 2kvu h ARG 55 N 1.18 0.99 -0.52 1.92 2.43 -0.77 0.26 114.38 119.86 2kvu h ARG 55 Ca 0.29 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2kvu h ARG 55 Cb 0.08 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2kvu h ARG 55 CO -0.04 0.80 0.28 -0.07 -1.51 0.00 0.00 179.97 179.43 2kvu h LEU 56 N 0.95 0.66 -0.49 3.80 3.38 -0.88 -2.27 115.31 120.47 2kvu h LEU 56 Ca 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2kvu h LEU 56 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2kvu h LEU 56 CO -0.03 0.57 0.32 0.03 0.09 0.00 0.00 178.44 179.43 2kvu h ARG 57 N 0.70 0.65 -0.29 1.13 3.08 -0.45 -0.48 114.38 118.71 2kvu h ARG 57 Ca 0.18 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2kvu h ARG 57 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2kvu h ARG 57 CO -0.03 0.44 0.19 0.00 -1.07 0.00 0.00 179.97 179.50 2kvu h ALA 58 N 1.17 0.37 -0.57 0.04 0.00 -0.84 0.31 119.26 119.73 2kvu h ALA 58 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kvu h ALA 58 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2kvu h ALA 58 CO -0.04 -0.17 0.32 -0.92 0.00 0.00 0.00 179.25 178.45 2kvu h TYR 59 N 0.39 0.78 -0.23 0.00 3.20 -1.09 -2.06 116.97 117.96 2kvu h TYR 59 Ca 0.11 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 2kvu h TYR 59 Cb -0.04 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2kvu h TYR 59 CO -0.06 0.56 -0.46 0.37 -1.64 0.00 0.00 178.16 176.92 2kvu h GLN 60 N 0.77 0.72 -0.66 1.82 -0.00 -0.83 -3.29 115.11 113.65 2kvu h GLN 60 Ca 0.20 -0.47 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 2kvu h GLN 60 Cb 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.54 2kvu h GLN 60 CO -0.03 1.09 0.07 0.22 0.00 0.00 0.00 178.83 180.18 2kvu h ASP 61 N 0.44 1.07 0.00 -0.69 3.58 -0.22 -2.56 116.42 118.04 2kvu h ASP 61 Ca 0.01 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2kvu h ASP 61 Cb 1.07 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2kvu h ASP 61 CO 0.10 1.07 0.00 0.00 -2.88 0.00 0.00 179.24 177.54 2kvu n GLN 62 N -4.20 0.98 -0.01 0.28 10.64 -0.79 -2.94 117.38 121.35 2kvu n GLN 62 Ca 0.04 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.10 2kvu n GLN 62 Cb 0.31 -1.35 0.03 0.00 -0.86 0.00 0.00 30.24 28.37 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 1.31 -3.31 -0.39 2.04 -1.52 -3.42 117.51 112.22 2kvu h ILE 63 Ca 0.00 -1.83 -0.59 0.00 1.00 0.00 0.00 64.86 63.45 2kvu h ILE 63 Cb 0.00 1.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.79 2kvu h ILE 63 CO 0.00 0.57 0.38 -0.55 0.00 0.00 0.00 178.15 178.55 2kvu s SER 64 N -6.94 6.87 1.06 1.72 0.15 -1.15 -5.05 113.70 110.36 2kvu s SER 64 Ca -0.08 1.07 -0.16 0.00 0.70 0.00 0.00 55.95 57.49 2kvu s SER 64 Cb 0.11 -2.43 0.22 0.00 -1.71 0.00 0.00 66.02 62.21 2kvu s SER 64 CO 0.85 -0.42 1.13 -2.16 1.20 0.00 0.00 173.24 173.85 2kvu s PRO 65 N 2.37 -0.11 0.06 5.44 0.04 -1.26 -5.02 135.00 136.52 2kvu s PRO 65 Ca 0.36 0.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.29 2kvu s PRO 65 Cb -0.16 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 2kvu s PRO 65 CO 0.10 -3.01 0.68 0.14 0.04 0.00 0.00 177.00 174.96 2kvu s VAL 66 N -3.15 4.70 0.17 -0.36 -7.23 -1.26 -4.99 120.40 108.28 2kvu s VAL 66 Ca 0.68 1.46 -0.13 0.00 -1.81 0.00 0.00 61.98 62.18 2kvu s VAL 66 Cb -0.13 -4.03 0.07 0.00 0.56 0.00 0.00 36.38 32.86 2kvu s VAL 66 CO 0.56 0.45 1.80 -0.65 -0.31 0.00 0.00 175.10 176.95 2kvu h PRO 67 N 5.14 0.76 0.11 4.82 0.11 -2.06 -3.21 132.00 137.68 2kvu h PRO 67 Ca -0.46 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2kvu h PRO 67 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2kvu h PRO 67 CO 0.68 0.57 -0.05 0.78 -0.21 0.00 0.00 178.00 179.76 2kvu h GLY 68 N 0.75 -0.16 -3.53 -0.55 0.00 -2.06 -3.50 103.07 94.03 2kvu h GLY 68 Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kvu h GLY 68 CO -0.04 -0.06 -0.72 0.00 0.00 0.00 0.00 176.54 175.73 2kvu n ALA 69 N -2.51 -2.28 -1.56 3.60 0.00 -1.22 -4.97 120.51 111.58 2kvu n ALA 69 Ca -0.08 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 2kvu n ALA 69 Cb 0.28 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.55 2kvu n ALA 69 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kvu s PRO 70 N -1.22 2.86 -1.09 0.00 0.02 -1.26 -4.90 135.00 129.41 2kvu s PRO 70 Ca 0.00 1.50 -0.22 0.00 0.02 0.00 0.00 61.00 62.29 2kvu s PRO 70 Cb 0.00 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 2kvu s PRO 70 CO 0.00 -1.22 1.81 0.21 -0.33 0.00 0.00 177.00 177.47 2kvu s LYS 71 N -3.86 2.99 -0.01 5.54 2.36 -1.26 -4.84 119.74 120.66 2kvu s LYS 71 Ca 0.69 -1.04 -0.25 0.00 -2.55 0.00 0.00 55.97 52.82 2kvu s LYS 71 Cb -0.23 -5.26 0.06 0.00 -1.05 0.00 0.00 37.83 31.35 2kvu s LYS 71 CO 0.38 -3.16 0.56 0.00 1.55 0.00 0.00 175.35 174.68 2kvu s ALA 72 N 8.38 -1.44 -0.55 3.13 0.00 -1.26 -5.10 121.76 124.92 2kvu s ALA 72 Ca 0.62 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 2kvu s ALA 72 Cb -0.02 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 2kvu s ALA 72 CO 0.04 -0.39 2.45 -2.30 0.00 0.00 0.00 175.76 175.56 2kvu n PRO 73 N 0.83 0.92 -3.46 0.00 -0.02 -1.26 -4.88 135.00 127.13 2kvu n PRO 73 Ca -0.19 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 2kvu n PRO 73 Cb 0.58 -3.12 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kvu n ALA 74 N 14.79 4.09 -0.26 3.55 0.00 -1.26 -5.21 120.51 136.21 2kvu n ALA 74 Ca 0.41 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 49.21 2kvu n ALA 74 Cb 0.46 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50