#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 -0.68 3.48 -5.12 0.00 -1.26 -4.72 105.19 96.89 2kvu n GLY 2 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2kvu n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kvu s HIS 3 N -1.51 3.02 0.20 1.61 2.46 -1.26 -4.98 115.29 114.83 2kvu s HIS 3 Ca -0.06 -1.37 0.06 0.00 0.47 0.00 0.00 55.06 54.16 2kvu s HIS 3 Cb 0.01 -4.40 -0.04 0.00 -0.13 0.00 0.00 32.58 28.02 2kvu s HIS 3 CO 0.09 -1.59 0.15 -3.38 -2.47 0.00 0.00 174.74 167.54 2kvu s HIS 4 N 3.14 3.12 -0.87 3.88 -3.43 -1.26 -5.03 115.29 114.83 2kvu s HIS 4 Ca 0.38 -0.06 -0.25 0.00 -0.80 0.00 0.00 55.06 54.33 2kvu s HIS 4 Cb -0.03 -1.46 -0.00 0.00 -1.43 0.00 0.00 32.58 29.65 2kvu s HIS 4 CO -0.08 0.52 1.69 -1.01 -2.00 0.00 0.00 174.74 173.86 2kvu s HIS 5 N -1.89 2.07 -0.25 0.38 0.09 -1.26 -4.89 115.29 109.54 2kvu s HIS 5 Ca 0.31 0.10 -0.01 0.00 -0.00 0.00 0.00 55.06 55.47 2kvu s HIS 5 Cb -0.09 -4.34 0.08 0.00 -0.00 0.00 0.00 32.58 28.23 2kvu s HIS 5 CO 0.24 -1.94 0.04 -1.58 -0.00 0.00 0.00 174.74 171.49 2kvu s HIS 6 N 7.74 1.67 0.32 1.40 5.65 -1.26 -5.12 115.29 125.69 2kvu s HIS 6 Ca 0.57 -1.45 -0.29 0.00 0.25 0.00 0.00 55.06 54.14 2kvu s HIS 6 Cb -0.06 -1.46 -0.11 0.00 -1.18 0.00 0.00 32.58 29.77 2kvu s HIS 6 CO 0.02 -0.76 1.42 -1.58 -0.65 0.00 0.00 174.74 173.19 2kvu s HIS 7 N 1.63 2.87 -0.37 3.88 2.46 -1.26 -4.86 115.29 119.65 2kvu s HIS 7 Ca 0.02 1.18 -0.27 0.00 0.47 0.00 0.00 55.06 56.46 2kvu s HIS 7 Cb -0.18 -3.86 -0.06 0.00 -0.13 0.00 0.00 32.58 28.35 2kvu s HIS 7 CO -0.14 -2.57 2.33 1.58 -2.47 0.00 0.00 174.74 173.47 2kvu n HIS 8 N 1.22 1.67 0.31 3.88 -0.00 -1.26 -4.85 115.22 116.20 2kvu n HIS 8 Ca 0.03 0.01 -0.17 0.00 -0.00 0.00 0.00 57.72 57.59 2kvu n HIS 8 Cb 0.40 -2.68 -0.09 0.00 -0.00 0.00 0.00 29.99 27.63 2kvu n HIS 8 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2kvu h SER 9 N 17.24 -0.96 -1.64 0.26 0.02 -2.06 -3.26 113.55 123.16 2kvu h SER 9 Ca -0.32 0.06 -0.61 0.00 -0.84 0.00 0.00 61.79 60.08 2kvu h SER 9 Cb 1.26 0.29 -0.11 0.00 0.14 0.00 0.00 62.40 63.98 2kvu h SER 9 CO 1.07 -0.57 1.25 -2.28 -1.14 0.00 0.00 176.83 175.16 2kvu s HIS 10 N -6.01 2.61 -0.27 3.45 5.65 -1.26 -4.95 115.29 114.52 2kvu s HIS 10 Ca -0.18 -0.81 0.03 0.00 0.25 0.00 0.00 55.06 54.35 2kvu s HIS 10 Cb 0.04 -4.59 0.06 0.00 -1.18 0.00 0.00 32.58 26.92 2kvu s HIS 10 CO 0.62 -1.86 -0.08 1.41 -0.65 0.00 0.00 174.74 174.18 2kvu s MET 11 N 4.60 2.07 -0.11 2.88 1.75 -1.23 -4.85 119.30 124.41 2kvu s MET 11 Ca 0.40 -1.36 0.14 0.00 -1.25 0.00 0.00 55.69 53.62 2kvu s MET 11 Cb -0.03 -2.88 0.35 0.00 2.84 0.00 0.00 34.83 35.11 2kvu s MET 11 CO -0.05 -0.62 1.26 -1.13 -0.65 0.00 0.00 175.02 173.84 2kvu n SER 12 N 4.44 3.05 -4.83 1.11 3.41 -1.26 -5.02 113.62 114.52 2kvu n SER 12 Ca -0.12 -2.70 -0.36 0.00 -0.26 0.00 0.00 58.87 55.43 2kvu n SER 12 Cb 0.42 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 2kvu n SER 12 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvu s THR 13 N -2.24 4.77 0.80 6.66 2.01 -1.26 -5.01 115.64 121.37 2kvu s THR 13 Ca 0.30 0.98 -0.13 0.00 0.31 0.00 0.00 61.69 63.15 2kvu s THR 13 Cb 0.24 -3.78 0.08 0.00 0.01 0.00 0.00 72.50 69.05 2kvu s THR 13 CO 0.07 0.25 1.18 -2.84 -0.69 0.00 0.00 174.62 172.60 2kvu s PRO 14 N -1.92 1.70 -1.22 4.92 0.02 -1.26 -4.90 135.00 132.34 2kvu s PRO 14 Ca 0.39 1.67 -0.18 0.00 0.02 0.00 0.00 61.00 62.89 2kvu s PRO 14 Cb -0.16 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 32.66 2kvu s PRO 14 CO 0.20 -2.15 1.61 -1.17 -0.33 0.00 0.00 177.00 175.15 2kvu s LEU 15 N -5.75 4.05 -0.03 -5.54 0.20 -1.26 -4.88 118.68 105.48 2kvu s LEU 15 Ca 0.71 -2.35 -0.14 0.00 0.69 0.00 0.00 54.13 53.04 2kvu s LEU 15 Cb -0.27 -2.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.98 2kvu s LEU 15 CO 0.51 -1.15 0.31 -0.89 -0.29 0.00 0.00 176.35 174.84 2kvu s THR 16 N 3.83 0.05 0.01 3.68 2.01 -1.26 -5.08 115.64 118.88 2kvu s THR 16 Ca 0.50 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2kvu s THR 16 Cb 0.02 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2kvu s THR 16 CO 0.03 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 2kvu n GLY 17 N 1.44 -0.01 2.47 4.40 0.00 -1.26 -4.92 105.19 107.32 2kvu n GLY 17 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 0.58 0.72 1.61 1.02 -1.26 -4.31 119.74 116.11 2kvu s LYS 18 Ca 0.00 -1.37 -0.01 0.00 0.02 0.00 0.00 55.97 54.61 2kvu s LYS 18 Cb 0.00 -1.27 0.13 0.00 -0.52 0.00 0.00 37.83 36.17 2kvu s LYS 18 CO 0.00 -1.23 1.00 -1.25 -0.92 0.00 0.00 175.35 172.95 2kvu s PRO 19 N 1.00 1.68 -0.22 -1.68 0.04 -1.26 -5.03 135.00 129.54 2kvu s PRO 19 Ca 0.19 -1.07 0.14 0.00 0.04 0.00 0.00 61.00 60.31 2kvu s PRO 19 Cb -0.20 -2.32 0.51 0.00 0.04 0.00 0.00 34.50 32.54 2kvu s PRO 19 CO -0.01 -1.45 1.43 0.41 0.04 0.00 0.00 177.00 177.42 2kvu n GLY 20 N -2.85 4.37 0.00 0.56 0.00 -1.26 -5.00 105.19 101.01 2kvu n GLY 20 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2kvu n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu n ALA 21 N -0.77 0.00 -2.79 4.61 0.00 -1.26 -4.97 120.51 115.33 2kvu n ALA 21 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 2kvu n ALA 21 Cb 0.95 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.28 2kvu n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kvu s LEU 22 N 0.00 2.24 0.39 0.00 1.43 -1.26 -4.97 118.68 116.52 2kvu s LEU 22 Ca 0.00 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 2kvu s LEU 22 Cb 0.00 -0.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.81 2kvu s LEU 22 CO 0.00 -0.12 1.14 -2.16 0.23 0.00 0.00 176.35 175.44 2kvu s PRO 23 N -1.49 4.10 0.00 1.29 0.04 -1.26 -4.92 135.00 132.76 2kvu s PRO 23 Ca -0.06 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2kvu s PRO 23 Cb -0.09 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2kvu s PRO 23 CO 0.01 -0.26 0.81 0.00 0.04 0.00 0.00 177.00 177.60 2kvu n ALA 24 N 0.10 2.42 -1.62 8.56 0.00 -1.26 -3.33 120.51 125.39 2kvu n ALA 24 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.54 2kvu n ALA 24 Cb 0.47 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 19.10 2kvu n ALA 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kvu n ASN 25 N -0.36 1.71 -0.14 0.00 4.05 -1.26 -4.81 115.26 114.45 2kvu n ASN 25 Ca 0.00 -3.61 -0.05 0.00 0.45 0.00 0.00 54.58 51.37 2kvu n ASN 25 Cb 0.06 -0.49 0.04 0.00 1.23 0.00 0.00 39.78 40.61 2kvu n ASN 25 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2kvu h LEU 26 N 0.86 0.25 -1.19 1.20 3.38 -1.95 -2.02 115.31 115.84 2kvu h LEU 26 Ca -0.02 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2kvu h LEU 26 Cb 1.08 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2kvu h LEU 26 CO 0.01 0.18 -0.34 -0.78 0.09 0.00 0.00 178.44 177.59 2kvu h ASP 27 N 0.38 0.00 1.29 -0.43 3.58 -1.92 -2.33 116.42 117.00 2kvu h ASP 27 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kvu h ASP 27 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2kvu h ASP 27 CO -0.17 0.34 0.00 0.47 -2.88 0.00 0.00 179.24 177.01 2kvu n ASP 28 N -3.72 0.52 -4.93 2.28 8.00 -0.80 -4.78 116.55 113.12 2kvu n ASP 28 Ca -0.01 0.55 -0.25 0.00 0.71 0.00 0.00 54.79 55.79 2kvu n ASP 28 Cb 0.44 -0.69 0.06 0.00 -0.02 0.00 0.00 41.12 40.91 2kvu n ASP 28 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2kvu s MET 29 N -3.07 2.24 0.52 -1.24 -1.94 -0.88 -5.10 119.30 109.84 2kvu s MET 29 Ca 0.12 -0.38 0.09 0.00 -1.71 0.00 0.00 55.69 53.80 2kvu s MET 29 Cb 0.15 -2.23 0.06 0.00 2.01 0.00 0.00 34.83 34.81 2kvu s MET 29 CO 0.57 -1.15 0.67 0.15 -0.01 0.00 0.00 175.02 175.26 2kvu s LYS 30 N -5.15 2.44 0.14 2.03 3.01 -1.26 -4.93 119.74 116.02 2kvu s LYS 30 Ca 0.60 -1.58 -0.18 0.00 -1.01 0.00 0.00 55.97 53.80 2kvu s LYS 30 Cb -0.10 -2.60 -0.00 0.00 -1.01 0.00 0.00 37.83 34.11 2kvu s LYS 30 CO 0.43 -0.65 1.78 0.28 0.51 0.00 0.00 175.35 177.70 2kvu h VAL 31 N 0.40 1.01 -0.10 3.17 2.07 -1.98 -0.81 116.25 120.01 2kvu h VAL 31 Ca -0.34 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 2kvu h VAL 31 Cb 1.29 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2kvu h VAL 31 CO 0.44 0.06 -0.44 0.00 0.02 0.00 0.00 177.57 177.65 2kvu h ALA 32 N 1.15 1.07 -0.34 1.67 0.00 -1.98 -0.80 119.26 120.03 2kvu h ALA 32 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kvu h ALA 32 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kvu h ALA 32 CO -0.07 0.61 0.06 0.93 0.00 0.00 0.00 179.25 180.78 2kvu h GLU 33 N 0.19 0.55 -0.53 0.00 4.39 -1.81 -1.93 114.58 115.43 2kvu h GLU 33 Ca 0.01 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2kvu h GLU 33 Cb 0.86 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2kvu h GLU 33 CO 0.07 0.63 0.07 -0.07 -1.16 0.00 0.00 179.01 178.55 2kvu h LEU 34 N 0.39 0.81 -1.74 1.33 3.38 -0.91 -2.35 115.31 116.22 2kvu h LEU 34 Ca 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2kvu h LEU 34 Cb 0.34 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kvu h LEU 34 CO 0.01 0.83 -0.16 0.11 0.09 0.00 0.00 178.44 179.32 2kvu h LYS 35 N 0.81 0.00 -0.33 1.13 1.57 -0.86 -2.18 116.57 116.71 2kvu h LYS 35 Ca 0.17 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2kvu h LYS 35 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2kvu h LYS 35 CO 0.01 0.16 0.21 1.96 -0.57 0.00 0.00 179.45 181.22 2kvu h GLN 36 N 0.00 0.42 -0.26 3.15 1.08 -0.78 -0.03 115.11 118.68 2kvu h GLN 36 Ca -0.00 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2kvu h GLN 36 Cb 0.41 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2kvu h GLN 36 CO 0.02 0.28 0.01 0.93 -0.95 0.00 0.00 178.83 179.12 2kvu h GLU 37 N 0.43 0.45 0.17 1.46 5.08 -1.51 -2.95 114.58 117.71 2kvu h GLU 37 Ca 0.12 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2kvu h GLU 37 Cb -0.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2kvu h GLU 37 CO -0.04 0.60 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.15 2kvu h LEU 38 N 0.23 -1.02 -1.67 1.33 3.38 -1.07 0.46 115.31 116.95 2kvu h LEU 38 Ca 0.07 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2kvu h LEU 38 Cb 0.39 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2kvu h LEU 38 CO 0.01 -0.45 -0.19 0.07 0.09 0.00 0.00 178.44 177.97 2kvu h LYS 39 N -0.62 0.00 0.06 1.13 2.10 -1.08 0.43 116.57 118.59 2kvu h LYS 39 Ca 0.02 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.37 2kvu h LYS 39 Cb 0.63 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.93 2kvu h LYS 39 CO -0.18 0.19 -1.61 -0.07 -2.00 0.00 0.00 179.45 175.77 2kvu h LEU 40 N 0.00 0.20 -2.73 7.07 3.38 -1.25 -3.35 115.31 118.63 2kvu h LEU 40 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2kvu h LEU 40 Cb 0.43 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kvu h LEU 40 CO 0.02 1.29 0.00 0.54 0.09 0.00 0.00 178.44 180.39 2kvu n ARG 41 N -3.29 3.60 -2.96 1.13 1.74 0.16 -4.88 116.66 112.16 2kvu n ARG 41 Ca -0.17 -2.27 -0.12 0.00 -0.77 0.00 0.00 57.85 54.52 2kvu n ARG 41 Cb 1.04 -1.96 0.06 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.58 -2.80 -4.05 0.55 7.64 -0.91 -5.00 113.62 109.63 2kvu n SER 42 Ca 0.20 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.38 2kvu n SER 42 Cb 0.87 -3.83 -0.16 0.00 -1.01 0.00 0.00 64.21 60.07 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 -5.03 1.76 0.13 -3.43 1.43 0.15 -4.98 118.68 108.71 2kvu s LEU 43 Ca 0.08 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 2kvu s LEU 43 Cb -0.01 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.33 2kvu s LEU 43 CO 0.52 0.08 1.53 -2.16 0.23 0.00 0.00 176.35 176.55 2kvu s PRO 44 N 0.35 4.24 -0.03 1.29 0.04 -1.26 -3.79 135.00 135.84 2kvu s PRO 44 Ca -0.08 2.26 0.10 0.00 0.04 0.00 0.00 61.00 63.32 2kvu s PRO 44 Cb -0.13 -3.27 0.33 0.00 0.04 0.00 0.00 34.50 31.48 2kvu s PRO 44 CO 0.02 -0.58 1.21 1.33 0.04 0.00 0.00 177.00 179.02 2kvu n VAL 45 N 4.12 0.72 -2.55 -0.36 0.24 -1.26 -4.87 118.33 114.37 2kvu n VAL 45 Ca 0.14 -0.53 -0.43 0.00 -2.04 0.00 0.00 64.34 61.48 2kvu n VAL 45 Cb 0.40 0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.80 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 -0.81 6.76 0.00 -1.34 0.01 -1.26 -4.86 113.70 112.19 2kvu s SER 46 Ca 0.24 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2kvu s SER 46 Cb 0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2kvu s SER 46 CO 0.13 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2kvu n GLY 47 N 4.28 0.69 4.01 3.44 0.00 -1.26 -4.95 105.19 111.40 2kvu n GLY 47 Ca 0.13 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.67 2.84 0.39 2.61 -4.23 -1.26 -4.93 115.64 108.39 2kvu s THR 48 Ca 0.00 -0.94 0.11 0.00 -1.18 0.00 0.00 61.69 59.67 2kvu s THR 48 Cb 0.00 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.26 2kvu s THR 48 CO 0.00 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.50 2kvu h LYS 49 N 0.48 0.58 -0.35 3.99 3.64 -1.98 0.58 116.57 123.51 2kvu h LYS 49 Ca -0.39 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.99 2kvu h LYS 49 Cb 1.28 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 2kvu h LYS 49 CO 0.46 0.38 0.13 1.15 -2.27 0.00 0.00 179.45 179.29 2kvu h THR 50 N 0.60 0.91 -0.52 1.00 2.02 -2.00 -1.47 112.91 113.44 2kvu h THR 50 Ca 0.37 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 2kvu h THR 50 Cb 0.61 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2kvu h THR 50 CO -0.14 0.05 0.04 -0.33 0.37 0.00 0.00 175.52 175.51 2kvu h GLU 51 N 0.28 0.90 -0.25 6.66 4.39 -1.47 -2.78 114.58 122.30 2kvu h GLU 51 Ca 0.16 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.62 2kvu h GLU 51 Cb 0.13 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2kvu h GLU 51 CO -0.16 0.90 0.07 -0.07 -1.16 0.00 0.00 179.01 178.59 2kvu h LEU 52 N 0.77 0.06 -0.23 1.33 3.38 -0.47 0.42 115.31 120.58 2kvu h LEU 52 Ca 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kvu h LEU 52 Cb 0.47 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kvu h LEU 52 CO 0.02 0.07 0.09 0.40 0.09 0.00 0.00 178.44 179.11 2kvu h ILE 53 N 0.18 1.16 -0.68 1.22 2.04 -1.29 -0.26 117.51 119.88 2kvu h ILE 53 Ca 0.11 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2kvu h ILE 53 Cb 0.09 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2kvu h ILE 53 CO -0.13 0.16 0.23 -0.33 0.00 0.00 0.00 178.15 178.08 2kvu h GLU 54 N 0.22 1.03 -0.53 2.37 4.39 -1.19 0.15 114.58 121.02 2kvu h GLU 54 Ca 0.08 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 2kvu h GLU 54 Cb 0.17 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2kvu h GLU 54 CO -0.01 0.87 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.48 2kvu h ARG 55 N 0.99 1.02 -0.59 2.33 2.43 0.07 0.48 114.38 121.12 2kvu h ARG 55 Ca 0.22 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2kvu h ARG 55 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2kvu h ARG 55 CO -0.01 1.08 0.29 -0.07 -1.51 0.00 0.00 179.97 179.75 2kvu h LEU 56 N 0.90 0.77 -0.71 3.80 3.38 -0.73 -1.73 115.31 120.99 2kvu h LEU 56 Ca 0.13 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2kvu h LEU 56 Cb 0.72 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2kvu h LEU 56 CO 0.06 0.68 0.46 0.03 0.09 0.00 0.00 178.44 179.75 2kvu h ARG 57 N 0.80 0.89 -0.52 1.13 3.08 -0.46 -0.39 114.38 118.92 2kvu h ARG 57 Ca 0.20 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 2kvu h ARG 57 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2kvu h ARG 57 CO -0.03 0.59 -0.04 0.00 -1.07 0.00 0.00 179.97 179.42 2kvu h ALA 58 N 1.28 0.94 0.00 0.04 0.00 -0.70 0.54 119.26 121.35 2kvu h ALA 58 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kvu h ALA 58 Cb -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2kvu h ALA 58 CO -0.08 0.63 -0.12 -0.92 0.00 0.00 0.00 179.25 178.76 2kvu h TYR 59 N 0.83 0.00 0.16 0.00 3.20 -0.90 -2.76 116.97 117.50 2kvu h TYR 59 Ca 0.15 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.68 2kvu h TYR 59 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2kvu h TYR 59 CO 0.03 0.12 -1.70 0.37 -1.64 0.00 0.00 178.16 175.35 2kvu h GLN 60 N 0.00 0.34 -0.26 1.82 -0.00 -0.52 -3.37 115.11 113.12 2kvu h GLN 60 Ca -0.00 -0.58 -0.02 0.00 -0.00 0.00 0.00 58.65 58.05 2kvu h GLN 60 Cb 0.74 0.22 -0.01 0.00 0.00 0.00 0.00 27.48 28.42 2kvu h GLN 60 CO 0.02 1.24 0.08 0.22 0.00 0.00 0.00 178.83 180.38 2kvu h ASP 61 N 0.09 0.32 0.40 -0.69 3.58 0.34 0.17 116.42 120.64 2kvu h ASP 61 Ca -0.32 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2kvu h ASP 61 Cb 2.07 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.04 2kvu h ASP 61 CO 0.17 0.32 0.00 0.00 -2.88 0.00 0.00 179.24 176.85 2kvu n GLN 62 N -4.41 0.07 -0.00 0.28 10.64 -1.08 -0.99 117.38 121.89 2kvu n GLN 62 Ca 0.01 0.39 0.11 0.00 -1.83 0.00 0.00 57.00 55.68 2kvu n GLN 62 Cb 0.14 -1.65 -0.16 0.00 -0.86 0.00 0.00 30.24 27.71 2kvu n GLN 62 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2kvu n ILE 63 N -1.79 0.04 -3.60 -0.39 5.41 0.54 -4.96 119.36 114.62 2kvu n ILE 63 Ca 0.02 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.89 2kvu n ILE 63 Cb 0.14 -0.01 -0.06 0.00 -0.71 0.00 0.00 39.64 38.99 2kvu n ILE 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2kvu s SER 64 N -4.56 6.66 -0.04 4.38 0.01 -0.16 -4.97 113.70 115.01 2kvu s SER 64 Ca -0.07 0.78 0.01 0.00 1.31 0.00 0.00 55.95 57.98 2kvu s SER 64 Cb 0.14 -2.20 0.07 0.00 0.21 0.00 0.00 66.02 64.24 2kvu s SER 64 CO 0.90 0.31 0.92 -0.81 0.41 0.00 0.00 173.24 174.98 2kvu n PRO 65 N 2.10 1.21 -2.92 12.44 -0.05 -1.26 -4.87 135.00 141.64 2kvu n PRO 65 Ca -0.15 -0.29 -0.41 0.00 -0.05 0.00 0.00 63.50 62.60 2kvu n PRO 65 Cb 0.53 -1.27 -0.04 0.00 -0.05 0.00 0.00 33.50 32.67 2kvu n PRO 65 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2kvu s VAL 66 N -0.61 4.93 -2.01 0.52 -7.23 -1.26 -4.95 120.40 109.79 2kvu s VAL 66 Ca 0.05 1.62 0.25 0.00 -1.81 0.00 0.00 61.98 62.10 2kvu s VAL 66 Cb 0.04 -4.13 0.18 0.00 0.56 0.00 0.00 36.38 33.03 2kvu s VAL 66 CO 0.01 0.11 1.37 -0.81 -0.31 0.00 0.00 175.10 175.48 2kvu n PRO 67 N 4.61 1.15 -0.34 4.82 -0.04 -1.26 -4.29 135.00 139.65 2kvu n PRO 67 Ca 0.03 -0.83 0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2kvu n PRO 67 Cb 0.50 -1.48 0.31 0.00 -0.04 0.00 0.00 33.50 32.78 2kvu n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kvu n GLY 68 N 1.36 2.32 3.38 0.55 0.00 -1.26 -4.94 105.19 106.60 2kvu n GLY 68 Ca 0.12 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2kvu n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvu s ALA 69 N -1.10 2.25 -0.29 4.61 0.00 -1.26 -5.09 121.76 120.87 2kvu s ALA 69 Ca 0.47 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 2kvu s ALA 69 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2kvu s ALA 69 CO 0.33 0.18 1.64 -2.14 0.00 0.00 0.00 175.76 175.77 2kvu s PRO 70 N -3.38 3.60 0.06 0.00 0.02 -1.26 -5.00 135.00 129.05 2kvu s PRO 70 Ca 0.23 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.58 2kvu s PRO 70 Cb -0.03 -4.09 -0.06 0.00 0.02 0.00 0.00 34.50 30.34 2kvu s PRO 70 CO 0.09 -1.53 0.44 0.15 -0.33 0.00 0.00 177.00 175.82 2kvu s LYS 71 N 5.05 3.87 -0.04 5.54 1.02 -1.26 -4.80 119.74 129.13 2kvu s LYS 71 Ca 0.72 0.34 -0.02 0.00 0.02 0.00 0.00 55.97 57.04 2kvu s LYS 71 Cb -0.22 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2kvu s LYS 71 CO 0.31 0.60 0.08 0.00 -0.92 0.00 0.00 175.35 175.42 2kvu s ALA 72 N -1.28 -0.11 1.00 5.17 0.00 -1.26 -5.05 121.76 120.23 2kvu s ALA 72 Ca 0.30 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2kvu s ALA 72 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2kvu s ALA 72 CO 0.16 -0.10 0.00 -0.35 0.00 0.00 0.00 175.76 175.47 2kvu n PRO 73 N 3.87 0.58 -1.74 0.00 -0.04 -1.26 -4.43 135.00 131.98 2kvu n PRO 73 Ca -0.23 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 2kvu n PRO 73 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 2kvu n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kvu s ALA 74 N -3.96 2.59 0.00 0.55 0.00 -1.26 -5.01 121.76 114.68 2kvu s ALA 74 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2kvu s ALA 74 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2kvu s ALA 74 CO 0.00 -1.43 0.26 0.00 0.00 0.00 0.00 175.76 174.60