#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 0.82 2.36 3.17 0.00 -1.26 -3.94 105.19 106.34 2kvu n GLY 2 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.34 -0.26 -2.67 1.61 -0.00 -1.26 -4.96 115.22 105.33 2kvu n HIS 3 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2kvu n HIS 3 Cb 0.00 -2.74 -0.03 0.00 -0.00 0.00 0.00 29.99 27.22 2kvu n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvu s HIS 4 N -2.60 3.52 0.09 4.41 5.65 -1.25 -5.03 115.29 120.07 2kvu s HIS 4 Ca 0.00 1.58 -0.10 0.00 0.25 0.00 0.00 55.06 56.79 2kvu s HIS 4 Cb 0.00 -3.20 -0.06 0.00 -1.18 0.00 0.00 32.58 28.14 2kvu s HIS 4 CO 0.00 -0.28 0.42 -1.01 -0.65 0.00 0.00 174.74 173.22 2kvu s HIS 5 N 1.82 3.58 0.80 3.88 0.09 -1.26 -4.85 115.29 119.34 2kvu s HIS 5 Ca 0.50 0.82 -0.13 0.00 -0.00 0.00 0.00 55.06 56.25 2kvu s HIS 5 Cb -0.19 -2.19 0.18 0.00 -0.00 0.00 0.00 32.58 30.38 2kvu s HIS 5 CO 0.20 0.50 1.08 -2.39 -0.00 0.00 0.00 174.74 174.14 2kvu n HIS 6 N 0.86 -3.92 -4.83 1.40 -0.00 -1.26 -5.09 115.22 102.38 2kvu n HIS 6 Ca -0.07 -1.01 -0.33 0.00 -0.00 0.00 0.00 57.72 56.30 2kvu n HIS 6 Cb 0.52 -0.83 -0.14 0.00 -0.00 0.00 0.00 29.99 29.54 2kvu n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvu s HIS 7 N -3.34 2.76 -1.38 -1.40 4.02 -1.26 -5.03 115.29 109.66 2kvu s HIS 7 Ca 0.62 -0.41 -0.16 0.00 1.02 0.00 0.00 55.06 56.13 2kvu s HIS 7 Cb -0.02 -1.74 0.06 0.00 -1.02 0.00 0.00 32.58 29.85 2kvu s HIS 7 CO 0.43 -0.02 1.98 -2.39 1.02 0.00 0.00 174.74 175.76 2kvu n HIS 8 N 2.95 4.11 -0.05 1.40 -0.00 -1.26 -4.70 115.22 117.67 2kvu n HIS 8 Ca -0.18 -2.91 -0.01 0.00 -0.00 0.00 0.00 57.72 54.62 2kvu n HIS 8 Cb 0.52 -2.60 -0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 6.79 0.00 -4.07 4.39 0.02 -2.06 -3.48 113.55 115.13 2kvu h SER 9 Ca 0.51 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.87 2kvu h SER 9 Cb 0.76 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.08 2kvu h SER 9 CO 1.67 0.47 -0.84 -1.38 -1.14 0.00 0.00 176.83 175.61 2kvu s HIS 10 N -1.61 1.93 -0.06 3.45 -0.00 -1.26 -5.13 115.29 112.60 2kvu s HIS 10 Ca -0.04 -0.41 0.01 0.00 -0.00 0.00 0.00 55.06 54.63 2kvu s HIS 10 Cb 0.00 -1.05 0.02 0.00 -0.00 0.00 0.00 32.58 31.55 2kvu s HIS 10 CO 0.05 0.25 -0.09 1.41 -0.00 0.00 0.00 174.74 176.36 2kvu s MET 11 N -1.99 1.37 0.01 -0.38 -2.45 -1.26 -5.12 119.30 109.47 2kvu s MET 11 Ca 0.09 -0.28 -0.30 0.00 -1.25 0.00 0.00 55.69 53.95 2kvu s MET 11 Cb -0.10 -1.22 -0.03 0.00 1.25 0.00 0.00 34.83 34.73 2kvu s MET 11 CO 0.05 -0.05 0.97 0.45 1.05 0.00 0.00 175.02 177.49 2kvu s SER 12 N 0.88 7.37 0.04 1.11 0.15 -1.26 -5.05 113.70 116.94 2kvu s SER 12 Ca -0.11 1.65 0.09 0.00 0.70 0.00 0.00 55.95 58.28 2kvu s SER 12 Cb -0.15 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2kvu s SER 12 CO 0.01 -0.24 -0.25 0.42 1.20 0.00 0.00 173.24 174.38 2kvu s THR 13 N 0.93 2.29 0.01 6.45 -4.23 -1.26 -5.09 115.64 114.73 2kvu s THR 13 Ca 0.51 -1.34 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 2kvu s THR 13 Cb -0.21 -1.90 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 2kvu s THR 13 CO 0.28 0.37 1.99 -2.16 -0.54 0.00 0.00 174.62 174.56 2kvu s PRO 14 N -1.26 4.03 -0.17 3.99 0.04 -1.26 -4.96 135.00 135.41 2kvu s PRO 14 Ca 0.12 2.55 -0.21 0.00 0.04 0.00 0.00 61.00 63.49 2kvu s PRO 14 Cb -0.10 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 2kvu s PRO 14 CO 0.03 -1.08 0.65 -1.17 0.04 0.00 0.00 177.00 175.46 2kvu s LEU 15 N 4.88 4.18 -0.18 -3.56 0.20 -1.26 -5.04 118.68 117.90 2kvu s LEU 15 Ca 0.90 0.92 -0.00 0.00 0.69 0.00 0.00 54.13 56.63 2kvu s LEU 15 Cb -0.41 -2.94 0.04 0.00 -0.43 0.00 0.00 46.19 42.45 2kvu s LEU 15 CO 0.41 -0.24 -0.06 0.42 -0.29 0.00 0.00 176.35 176.58 2kvu s THR 16 N 1.67 1.27 0.00 3.68 -4.23 -1.26 -5.09 115.64 111.69 2kvu s THR 16 Ca 0.31 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2kvu s THR 16 Cb -0.16 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.25 2kvu s THR 16 CO 0.12 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2kvu n GLY 17 N 4.81 3.78 3.23 3.99 0.00 -1.26 -5.18 105.19 114.56 2kvu n GLY 17 Ca -0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.79 0.94 -1.12 1.61 0.00 -1.26 -5.07 119.74 113.05 2kvu s LYS 18 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 55.97 54.60 2kvu s LYS 18 Cb 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 37.83 37.97 2kvu s LYS 18 CO 0.00 -0.30 2.06 -2.14 0.00 0.00 0.00 175.35 174.97 2kvu s PRO 19 N -3.93 1.58 0.00 1.78 0.02 -1.26 -4.25 135.00 128.94 2kvu s PRO 19 Ca 0.12 -0.67 0.00 0.00 0.02 0.00 0.00 61.00 60.47 2kvu s PRO 19 Cb 0.05 -5.06 0.00 0.00 0.02 0.00 0.00 34.50 29.51 2kvu s PRO 19 CO -0.06 -5.04 0.54 0.41 -0.33 0.00 0.00 177.00 172.52 2kvu n GLY 20 N 6.04 -0.83 0.00 0.52 0.00 -1.26 -5.09 105.19 104.57 2kvu n GLY 20 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.12 0.00 -2.45 4.61 0.00 -1.26 -4.91 120.51 116.38 2kvu n ALA 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2kvu n ALA 21 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.66 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 2.04 0.56 0.00 1.43 -1.26 -5.02 118.68 116.43 2kvu s LEU 22 Ca 0.00 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 2kvu s LEU 22 Cb 0.00 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2kvu s LEU 22 CO 0.00 0.24 1.24 -2.16 0.23 0.00 0.00 176.35 175.90 2kvu s PRO 23 N -0.47 3.12 0.32 1.29 0.04 -1.26 -4.93 135.00 133.11 2kvu s PRO 23 Ca 0.08 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2kvu s PRO 23 Cb -0.08 -2.08 0.55 0.00 0.04 0.00 0.00 34.50 32.93 2kvu s PRO 23 CO -0.01 -1.12 1.82 0.00 0.04 0.00 0.00 177.00 177.74 2kvu h ALA 24 N 1.20 1.28 -1.28 8.56 0.00 -2.08 -3.33 119.26 123.60 2kvu h ALA 24 Ca -0.50 -0.25 -0.72 0.00 0.00 0.00 0.00 54.91 53.44 2kvu h ALA 24 Cb 1.29 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 2kvu h ALA 24 CO 0.56 0.48 1.77 0.09 0.00 0.00 0.00 179.25 182.15 2kvu n ASN 25 N -4.22 5.07 -0.10 0.00 4.13 -1.26 -4.62 115.26 114.26 2kvu n ASN 25 Ca 0.01 -2.96 -0.23 0.00 1.68 0.00 0.00 54.58 53.07 2kvu n ASN 25 Cb 0.31 -1.64 -0.12 0.00 -1.54 0.00 0.00 39.78 36.79 2kvu n ASN 25 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kvu n LEU 26 N 6.59 2.33 0.20 3.41 4.77 -1.25 -4.01 117.00 129.04 2kvu n LEU 26 Ca 0.42 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.69 2kvu n LEU 26 Cb 0.43 -0.94 0.35 0.00 -2.33 0.00 0.00 43.42 40.93 2kvu n LEU 26 CO 0.70 0.66 0.71 -2.24 -1.33 0.00 0.00 177.39 175.89 2kvu h ASP 27 N -0.53 0.00 1.16 -1.43 2.03 -1.94 -2.80 116.42 112.92 2kvu h ASP 27 Ca -0.54 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.72 2kvu h ASP 27 Cb 1.70 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.20 2kvu h ASP 27 CO -0.19 0.31 -0.21 -0.78 -1.03 0.00 0.00 179.24 177.34 2kvu h ASP 28 N 0.00 0.00 -3.73 4.15 3.58 -1.91 -3.44 116.42 115.07 2kvu h ASP 28 Ca -0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.95 2kvu h ASP 28 Cb 0.90 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 2kvu h ASP 28 CO 0.04 0.21 0.19 -0.04 -2.88 0.00 0.00 179.24 176.76 2kvu s MET 29 N -3.49 4.29 0.95 0.28 -1.94 -1.06 -5.05 119.30 113.29 2kvu s MET 29 Ca 0.02 0.98 -0.11 0.00 -1.71 0.00 0.00 55.69 54.87 2kvu s MET 29 Cb 0.09 -2.70 0.16 0.00 2.01 0.00 0.00 34.83 34.39 2kvu s MET 29 CO 0.64 0.28 1.09 0.15 -0.01 0.00 0.00 175.02 177.17 2kvu s LYS 30 N -2.30 0.81 0.31 2.03 1.02 -1.26 -4.79 119.74 115.55 2kvu s LYS 30 Ca 0.49 1.06 0.02 0.00 0.02 0.00 0.00 55.97 57.56 2kvu s LYS 30 Cb -0.15 -1.74 0.56 0.00 -0.52 0.00 0.00 37.83 35.98 2kvu s LYS 30 CO 0.20 -2.62 1.91 0.28 -0.92 0.00 0.00 175.35 174.20 2kvu h VAL 31 N -1.83 1.04 -0.61 3.17 2.07 -1.96 -0.93 116.25 117.20 2kvu h VAL 31 Ca -0.50 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2kvu h VAL 31 Cb 1.28 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2kvu h VAL 31 CO 0.50 0.18 0.35 0.00 0.02 0.00 0.00 177.57 178.61 2kvu h ALA 32 N 1.52 0.78 -0.47 1.67 0.00 -1.99 -1.26 119.26 119.51 2kvu h ALA 32 Ca 0.40 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2kvu h ALA 32 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kvu h ALA 32 CO -0.16 0.28 -0.08 0.93 0.00 0.00 0.00 179.25 180.22 2kvu h GLU 33 N 0.82 0.83 -0.62 0.00 4.39 -1.64 -2.20 114.58 116.17 2kvu h GLU 33 Ca 0.22 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kvu h GLU 33 Cb 0.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2kvu h GLU 33 CO -0.04 0.88 0.37 -0.07 -1.16 0.00 0.00 179.01 179.00 2kvu h LEU 34 N 0.75 0.74 -1.70 1.33 3.38 -0.86 -2.40 115.31 116.56 2kvu h LEU 34 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kvu h LEU 34 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2kvu h LEU 34 CO 0.04 0.59 -0.18 0.11 0.09 0.00 0.00 178.44 179.08 2kvu h LYS 35 N 0.84 0.00 -0.15 1.13 1.57 -0.83 -0.81 116.57 118.31 2kvu h LYS 35 Ca 0.22 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2kvu h LYS 35 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2kvu h LYS 35 CO -0.04 0.18 0.08 1.96 -0.57 0.00 0.00 179.45 181.05 2kvu h GLN 36 N 0.00 0.16 -0.26 3.15 1.08 -0.88 -0.63 115.11 117.73 2kvu h GLN 36 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2kvu h GLN 36 Cb 0.42 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2kvu h GLN 36 CO 0.02 0.11 -0.08 0.93 -0.95 0.00 0.00 178.83 178.85 2kvu h GLU 37 N 0.16 0.52 -0.02 1.46 4.39 -1.34 -2.99 114.58 116.76 2kvu h GLU 37 Ca 0.06 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2kvu h GLU 37 Cb 0.01 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 2kvu h GLU 37 CO -0.04 0.75 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.27 2kvu h LEU 38 N 0.26 -0.64 -1.58 1.33 3.38 -1.01 0.19 115.31 117.25 2kvu h LEU 38 Ca 0.06 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2kvu h LEU 38 Cb 0.57 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2kvu h LEU 38 CO 0.03 -0.28 -0.22 0.07 0.09 0.00 0.00 178.44 178.13 2kvu h LYS 39 N -0.33 0.00 0.04 1.13 2.10 -1.17 0.25 116.57 118.58 2kvu h LYS 39 Ca 0.07 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.45 2kvu h LYS 39 Cb 0.42 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 2kvu h LYS 39 CO -0.21 0.22 -1.41 -0.07 -2.00 0.00 0.00 179.45 175.98 2kvu h LEU 40 N 0.00 0.13 -3.83 7.07 3.38 -1.28 -3.37 115.31 117.42 2kvu h LEU 40 Ca -0.00 -0.19 -0.51 0.00 0.09 0.00 0.00 57.88 57.26 2kvu h LEU 40 Cb 0.47 -0.04 -0.28 0.00 0.09 0.00 0.00 40.66 40.90 2kvu h LEU 40 CO 0.03 1.16 0.36 0.54 0.09 0.00 0.00 178.44 180.62 2kvu n ARG 41 N -3.29 2.53 -2.16 1.13 1.74 0.64 -4.90 116.66 112.35 2kvu n ARG 41 Ca -0.11 -3.33 -0.18 0.00 -0.77 0.00 0.00 57.85 53.46 2kvu n ARG 41 Cb 1.01 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.99 -5.17 -4.58 0.55 7.64 -1.08 -4.94 113.62 105.05 2kvu n SER 42 Ca 0.53 0.08 -0.32 0.00 1.01 0.00 0.00 58.87 60.17 2kvu n SER 42 Cb 1.06 -4.24 -0.11 0.00 -1.01 0.00 0.00 64.21 59.91 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 -4.87 3.13 0.17 -3.43 1.43 0.82 -5.04 118.68 110.90 2kvu s LEU 43 Ca 0.00 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 2kvu s LEU 43 Cb 0.00 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 2kvu s LEU 43 CO 0.00 0.28 1.37 -2.16 0.23 0.00 0.00 176.35 176.07 2kvu s PRO 44 N -1.42 4.34 0.00 1.29 0.04 -1.26 -3.91 135.00 134.07 2kvu s PRO 44 Ca 0.17 2.11 0.16 0.00 0.04 0.00 0.00 61.00 63.48 2kvu s PRO 44 Cb -0.11 -3.20 0.53 0.00 0.04 0.00 0.00 34.50 31.76 2kvu s PRO 44 CO 0.07 -0.36 1.40 1.33 0.04 0.00 0.00 177.00 179.48 2kvu n VAL 45 N 3.13 0.34 -3.09 -0.36 0.24 -1.26 -4.83 118.33 112.50 2kvu n VAL 45 Ca 0.09 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.34 61.58 2kvu n VAL 45 Cb 0.42 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.27 6.68 0.00 -1.34 1.04 -1.26 -4.97 113.70 112.57 2kvu s SER 46 Ca 0.28 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2kvu s SER 46 Cb 0.15 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2kvu s SER 46 CO 0.21 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2kvu n GLY 47 N 3.88 2.28 3.93 7.32 0.00 -1.26 -4.87 105.19 116.47 2kvu n GLY 47 Ca -0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.96 2.02 0.20 2.61 -4.23 -1.26 -4.73 115.64 108.28 2kvu s THR 48 Ca 0.00 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 2kvu s THR 48 Cb 0.00 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.01 2kvu s THR 48 CO 0.00 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.32 2kvu h LYS 49 N -1.48 0.37 -0.34 3.99 1.63 -2.00 -0.27 116.57 118.47 2kvu h LYS 49 Ca -0.44 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.28 2kvu h LYS 49 Cb 1.25 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 2kvu h LYS 49 CO 0.41 0.25 -0.03 1.15 -3.45 0.00 0.00 179.45 177.77 2kvu h THR 50 N 0.39 1.27 -0.36 1.00 2.02 -2.00 -3.03 112.91 112.19 2kvu h THR 50 Ca 0.29 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.44 2kvu h THR 50 Cb 0.34 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2kvu h THR 50 CO -0.29 0.34 0.20 -0.33 0.37 0.00 0.00 175.52 175.81 2kvu h GLU 51 N 0.43 0.39 -0.64 6.66 4.39 -1.72 -1.60 114.58 122.48 2kvu h GLU 51 Ca 0.09 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2kvu h GLU 51 Cb 0.51 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2kvu h GLU 51 CO 0.02 0.26 0.22 -0.07 -1.16 0.00 0.00 179.01 178.28 2kvu h LEU 52 N 0.40 0.88 -0.33 1.33 3.38 -1.09 0.22 115.31 120.12 2kvu h LEU 52 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2kvu h LEU 52 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2kvu h LEU 52 CO -0.09 0.82 -0.00 0.40 0.09 0.00 0.00 178.44 179.65 2kvu h ILE 53 N 0.93 1.26 -0.12 1.22 2.04 -1.35 -1.85 117.51 119.64 2kvu h ILE 53 Ca 0.21 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 2kvu h ILE 53 Cb 0.24 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2kvu h ILE 53 CO -0.01 0.32 -0.34 -0.33 0.00 0.00 0.00 178.15 177.78 2kvu h GLU 54 N 0.38 0.23 -0.40 2.37 4.39 -0.90 -1.64 114.58 119.02 2kvu h GLU 54 Ca 0.09 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kvu h GLU 54 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2kvu h GLU 54 CO 0.02 0.55 0.23 -0.09 -1.16 0.00 0.00 179.01 178.56 2kvu h ARG 55 N 0.20 0.54 -0.37 2.33 9.65 -0.33 0.14 114.38 126.55 2kvu h ARG 55 Ca 0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2kvu h ARG 55 Cb 0.70 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 2kvu h ARG 55 CO 0.05 0.41 0.23 -0.07 2.80 0.00 0.00 179.97 183.40 2kvu h LEU 56 N 0.52 0.43 -0.82 3.80 3.38 -0.98 -1.62 115.31 120.02 2kvu h LEU 56 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kvu h LEU 56 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2kvu h LEU 56 CO -0.03 0.33 0.45 0.03 0.09 0.00 0.00 178.44 179.32 2kvu h ARG 57 N 0.49 1.14 -0.25 1.13 3.08 -0.90 0.69 114.38 119.75 2kvu h ARG 57 Ca 0.13 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2kvu h ARG 57 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 2kvu h ARG 57 CO -0.03 0.84 -0.14 0.00 -1.07 0.00 0.00 179.97 179.58 2kvu h ALA 58 N 1.24 1.30 -0.17 0.04 0.00 -0.50 -0.38 119.26 120.78 2kvu h ALA 58 Ca 0.29 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2kvu h ALA 58 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kvu h ALA 58 CO -0.05 0.47 -0.54 -0.92 0.00 0.00 0.00 179.25 178.21 2kvu h TYR 59 N 0.40 0.88 -0.30 0.00 3.20 -0.53 -2.94 116.97 117.68 2kvu h TYR 59 Ca 0.07 -0.36 -0.07 0.00 3.14 0.00 0.00 58.73 61.52 2kvu h TYR 59 Cb 0.48 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2kvu h TYR 59 CO 0.01 1.15 -0.10 0.37 -1.64 0.00 0.00 178.16 177.95 2kvu h GLN 60 N 0.36 0.49 -0.65 1.82 -0.00 -0.61 -2.38 115.11 114.15 2kvu h GLN 60 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 2kvu h GLN 60 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 28.56 2kvu h GLN 60 CO 0.12 0.60 0.42 0.22 0.00 0.00 0.00 178.83 180.19 2kvu h ASP 61 N 0.46 0.75 -0.18 -0.69 3.58 -1.04 -2.12 116.42 117.18 2kvu h ASP 61 Ca 0.09 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kvu h ASP 61 Cb 0.46 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kvu h ASP 61 CO 0.03 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.94 2kvu n GLN 62 N -4.63 1.49 0.11 0.28 10.64 -0.94 -3.35 117.38 120.99 2kvu n GLN 62 Ca 0.05 -0.75 -0.04 0.00 -1.83 0.00 0.00 57.00 54.44 2kvu n GLN 62 Cb 0.02 -1.23 0.11 0.00 -0.86 0.00 0.00 30.24 28.29 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 1.30 1.46 -3.38 -0.39 1.08 -0.91 -3.39 117.51 113.27 2kvu h ILE 63 Ca 0.00 -2.25 -0.71 0.00 -0.39 0.00 0.00 64.86 61.51 2kvu h ILE 63 Cb 0.29 2.20 -0.31 0.00 -3.07 0.00 0.00 36.82 35.93 2kvu h ILE 63 CO 0.00 0.65 -0.46 -0.44 -0.69 0.00 0.00 178.15 177.21 2kvu s SER 64 N -6.86 5.53 -0.51 1.72 0.01 -1.21 -5.05 113.70 107.33 2kvu s SER 64 Ca -0.02 -1.92 -0.28 0.00 1.31 0.00 0.00 55.95 55.04 2kvu s SER 64 Cb 0.12 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 2kvu s SER 64 CO 0.78 -0.63 1.65 -2.16 0.41 0.00 0.00 173.24 173.30 2kvu s PRO 65 N 1.28 3.11 0.08 12.44 0.04 -1.26 -4.99 135.00 145.71 2kvu s PRO 65 Ca 0.06 0.77 -0.22 0.00 0.04 0.00 0.00 61.00 61.66 2kvu s PRO 65 Cb -0.25 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.01 2kvu s PRO 65 CO -0.02 -2.15 0.64 0.14 0.04 0.00 0.00 177.00 175.66 2kvu s VAL 66 N 7.18 4.67 0.32 -0.36 -7.23 -1.26 -4.94 120.40 118.78 2kvu s VAL 66 Ca 0.64 1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 61.91 2kvu s VAL 66 Cb -0.14 -3.99 -0.11 0.00 0.56 0.00 0.00 36.38 32.71 2kvu s VAL 66 CO 0.26 0.51 1.43 -2.84 -0.31 0.00 0.00 175.10 174.15 2kvu s PRO 67 N -0.88 4.23 0.00 4.82 0.02 -1.26 -3.44 135.00 138.49 2kvu s PRO 67 Ca 0.32 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2kvu s PRO 67 Cb -0.20 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2kvu s PRO 67 CO 0.21 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 2kvu n GLY 68 N 1.22 2.04 1.22 0.52 0.00 -1.26 -4.97 105.19 103.95 2kvu n GLY 68 Ca 0.03 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -3.19 -1.92 4.61 0.00 -1.22 -3.44 120.51 115.35 2kvu n ALA 69 Ca 0.00 0.60 -0.35 0.00 0.00 0.00 0.00 53.44 53.69 2kvu n ALA 69 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 -4.04 1.93 -2.93 0.00 -0.02 -1.26 -4.33 135.00 124.35 2kvu n PRO 70 Ca -0.03 -2.47 -0.11 0.00 -2.02 0.00 0.00 63.50 58.86 2kvu n PRO 70 Cb 0.57 -3.48 0.01 0.00 -0.02 0.00 0.00 33.50 30.58 2kvu n PRO 70 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kvu n LYS 71 N 7.88 -2.42 -3.50 -0.52 0.00 -1.26 -5.06 118.16 113.27 2kvu n LYS 71 Ca 0.47 2.09 -0.10 0.00 0.00 0.00 0.00 58.31 60.78 2kvu n LYS 71 Cb 0.45 -5.10 -0.02 0.00 0.00 0.00 0.00 35.03 30.36 2kvu n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kvu s ALA 72 N -2.32 -1.67 0.54 3.14 0.00 -1.22 -5.16 121.76 115.07 2kvu s ALA 72 Ca 0.23 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 2kvu s ALA 72 Cb -0.06 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2kvu s ALA 72 CO 0.77 -0.77 1.29 -2.14 0.00 0.00 0.00 175.76 174.91 2kvu s PRO 73 N -3.48 3.20 0.17 0.00 0.02 -1.26 -4.65 135.00 128.99 2kvu s PRO 73 Ca 0.04 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.20 2kvu s PRO 73 Cb -0.01 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2kvu s PRO 73 CO -0.09 -1.09 -0.18 0.00 -0.33 0.00 0.00 177.00 175.31 2kvu s ALA 74 N -1.40 2.01 -2.91 -1.55 0.00 -1.26 -4.80 121.76 111.84 2kvu s ALA 74 Ca 0.72 -1.50 0.25 0.00 0.00 0.00 0.00 51.96 51.42 2kvu s ALA 74 Cb -0.36 -0.18 0.34 0.00 0.00 0.00 0.00 23.12 22.92 2kvu s ALA 74 CO 0.42 0.22 1.35 0.00 0.00 0.00 0.00 175.76 177.75