#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 0.27 3.53 3.03 0.00 -1.26 -5.05 105.19 105.71 2kvu n GLY 2 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 2kvu n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kvu s HIS 3 N -1.69 -0.92 -0.32 1.61 -0.00 -1.26 -5.13 115.29 107.58 2kvu s HIS 3 Ca 0.00 1.87 -0.02 0.00 -0.00 0.00 0.00 55.06 56.92 2kvu s HIS 3 Cb 0.00 0.51 0.11 0.00 -0.00 0.00 0.00 32.58 33.20 2kvu s HIS 3 CO 0.00 -0.47 0.15 -1.01 -0.00 0.00 0.00 174.74 173.41 2kvu s HIS 4 N 1.49 0.95 -0.20 0.38 0.09 -1.26 -5.08 115.29 111.66 2kvu s HIS 4 Ca -0.09 -1.43 -0.03 0.00 -0.00 0.00 0.00 55.06 53.51 2kvu s HIS 4 Cb -0.06 -1.23 0.06 0.00 -0.00 0.00 0.00 32.58 31.36 2kvu s HIS 4 CO -0.17 -0.84 0.05 -1.01 -0.00 0.00 0.00 174.74 172.77 2kvu s HIS 5 N 1.57 0.93 -0.37 1.40 4.02 -1.26 -5.10 115.29 116.49 2kvu s HIS 5 Ca 0.12 -0.83 -0.07 0.00 1.02 0.00 0.00 55.06 55.30 2kvu s HIS 5 Cb -0.19 -1.01 0.06 0.00 -1.02 0.00 0.00 32.58 30.42 2kvu s HIS 5 CO -0.22 -0.62 0.16 -1.01 1.02 0.00 0.00 174.74 174.08 2kvu s HIS 6 N 1.89 3.30 -1.03 1.40 0.09 -1.26 -5.03 115.29 114.65 2kvu s HIS 6 Ca 0.00 -1.51 -0.23 0.00 -0.00 0.00 0.00 55.06 53.32 2kvu s HIS 6 Cb -0.17 -2.54 -0.03 0.00 -0.00 0.00 0.00 32.58 29.83 2kvu s HIS 6 CO -0.10 -0.78 1.85 -1.58 -0.00 0.00 0.00 174.74 174.13 2kvu s HIS 7 N 1.39 2.05 -0.14 1.40 2.46 -1.26 -4.65 115.29 116.55 2kvu s HIS 7 Ca 0.01 0.15 0.08 0.00 0.47 0.00 0.00 55.06 55.76 2kvu s HIS 7 Cb -0.21 -4.20 -0.23 0.00 -0.13 0.00 0.00 32.58 27.81 2kvu s HIS 7 CO 0.02 -1.63 0.28 -2.39 -2.47 0.00 0.00 174.74 168.55 2kvu n HIS 8 N 12.77 0.62 -2.39 3.88 -0.00 -1.26 -4.74 115.22 124.11 2kvu n HIS 8 Ca 0.41 0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.89 2kvu n HIS 8 Cb 0.47 -1.10 -0.02 0.00 -0.00 0.00 0.00 29.99 29.34 2kvu n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kvu s SER 9 N -6.24 6.24 0.09 4.39 0.01 -1.26 -4.91 113.70 112.02 2kvu s SER 9 Ca -0.16 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 2kvu s SER 9 Cb 0.07 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.62 2kvu s SER 9 CO 0.77 -1.58 1.70 -0.74 0.41 0.00 0.00 173.24 173.80 2kvu h HIS 10 N 10.82 -0.31 -0.30 2.43 -0.00 -2.00 -3.44 115.15 122.35 2kvu h HIS 10 Ca -0.27 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.34 2kvu h HIS 10 Cb 1.09 0.11 -0.21 0.00 -0.00 0.00 0.00 27.41 28.41 2kvu h HIS 10 CO 1.01 -0.19 0.13 1.41 -0.00 0.00 0.00 177.93 180.29 2kvu s MET 11 N -6.14 0.17 -0.60 5.26 -2.45 -1.26 -5.11 119.30 109.17 2kvu s MET 11 Ca -0.15 0.29 -0.28 0.00 -1.25 0.00 0.00 55.69 54.31 2kvu s MET 11 Cb 0.06 0.16 0.01 0.00 1.25 0.00 0.00 34.83 36.31 2kvu s MET 11 CO 0.65 -0.20 1.42 -1.54 1.05 0.00 0.00 175.02 176.40 2kvu s SER 12 N 2.96 6.08 -0.23 1.11 1.04 -1.26 -4.99 113.70 118.41 2kvu s SER 12 Ca 0.01 0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 2kvu s SER 12 Cb -0.09 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.43 2kvu s SER 12 CO -0.12 -1.78 0.19 -0.89 0.98 0.00 0.00 173.24 171.62 2kvu s THR 13 N 6.21 5.35 0.53 2.02 2.01 -1.26 -5.08 115.64 125.41 2kvu s THR 13 Ca 0.50 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 2kvu s THR 13 Cb -0.10 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2kvu s THR 13 CO 0.23 0.35 0.91 -2.16 -0.69 0.00 0.00 174.62 173.26 2kvu s PRO 14 N 0.96 3.64 -0.08 4.92 0.04 -1.26 -5.09 135.00 138.13 2kvu s PRO 14 Ca 0.09 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 2kvu s PRO 14 Cb -0.13 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2kvu s PRO 14 CO 0.04 -0.34 -0.02 -1.17 0.04 0.00 0.00 177.00 175.54 2kvu s LEU 15 N -4.73 0.80 -0.11 -3.56 1.98 -1.26 -5.13 118.68 106.67 2kvu s LEU 15 Ca 0.52 -0.15 -0.30 0.00 -2.89 0.00 0.00 54.13 51.31 2kvu s LEU 15 Cb -0.11 -0.56 0.10 0.00 0.66 0.00 0.00 46.19 46.28 2kvu s LEU 15 CO 0.45 -0.17 0.83 0.28 -1.89 0.00 0.00 176.35 175.86 2kvu s THR 16 N 1.85 0.00 0.00 3.68 -1.32 -1.26 -5.18 115.64 113.41 2kvu s THR 16 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2kvu s THR 16 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2kvu s THR 16 CO -0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 2kvu n GLY 17 N 0.90 3.67 2.12 6.08 0.00 -1.26 -5.14 105.19 111.56 2kvu n GLY 17 Ca -0.15 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2kvu n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kvu n LYS 18 N -1.85 -2.49 -2.17 1.61 5.02 -1.26 -5.02 118.16 112.01 2kvu n LYS 18 Ca 0.00 2.11 -0.32 0.00 -2.02 0.00 0.00 58.31 58.07 2kvu n LYS 18 Cb 0.00 -3.30 -0.01 0.00 -0.02 0.00 0.00 35.03 31.71 2kvu n LYS 18 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kvu s PRO 19 N -0.83 3.57 0.05 1.97 0.02 -1.26 -4.99 135.00 133.53 2kvu s PRO 19 Ca -0.14 1.09 -0.15 0.00 0.02 0.00 0.00 61.00 61.81 2kvu s PRO 19 Cb 0.01 -2.07 -0.26 0.00 0.02 0.00 0.00 34.50 32.20 2kvu s PRO 19 CO 0.44 -0.60 1.13 0.78 -0.33 0.00 0.00 177.00 178.43 2kvu h GLY 20 N 0.58 0.71 0.00 0.52 0.00 -2.06 -3.46 103.07 99.35 2kvu h GLY 20 Ca -0.47 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.52 2kvu h GLY 20 CO 0.59 1.18 0.00 0.00 0.00 0.00 0.00 176.54 178.32 2kvu n ALA 21 N -2.66 0.00 -2.45 3.60 0.00 -1.26 -4.94 120.51 112.81 2kvu n ALA 21 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 2kvu n ALA 21 Cb 0.90 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.22 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 2.33 0.64 0.00 1.43 -1.26 -5.10 118.68 116.72 2kvu s LEU 22 Ca 0.00 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 2kvu s LEU 22 Cb 0.00 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 2kvu s LEU 22 CO 0.00 0.13 1.06 -2.16 0.23 0.00 0.00 176.35 175.60 2kvu s PRO 23 N -2.09 3.15 0.26 1.29 0.04 -1.26 -4.94 135.00 131.44 2kvu s PRO 23 Ca 0.12 1.08 0.25 0.00 0.04 0.00 0.00 61.00 62.49 2kvu s PRO 23 Cb -0.10 -2.01 0.93 0.00 0.04 0.00 0.00 34.50 33.36 2kvu s PRO 23 CO 0.06 -0.94 1.74 0.00 0.04 0.00 0.00 177.00 177.90 2kvu n ALA 24 N -2.55 1.87 -1.13 8.56 0.00 -1.26 -3.63 120.51 122.37 2kvu n ALA 24 Ca 0.08 0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.33 2kvu n ALA 24 Cb 0.53 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.29 6.92 -0.04 0.00 4.13 -1.26 -4.51 115.26 118.21 2kvu n ASN 25 Ca 0.03 -3.34 -0.01 0.00 1.68 0.00 0.00 54.58 52.94 2kvu n ASN 25 Cb 0.30 -1.05 0.27 0.00 -1.54 0.00 0.00 39.78 37.76 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 2.51 0.58 0.00 3.41 3.38 -1.93 0.15 115.31 123.41 2kvu h LEU 26 Ca 0.41 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2kvu h LEU 26 Cb 0.82 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kvu h LEU 26 CO 1.07 0.60 -0.27 -0.78 0.09 0.00 0.00 178.44 179.15 2kvu h ASP 27 N 0.60 0.00 1.29 -0.43 3.58 -1.93 -3.10 116.42 116.44 2kvu h ASP 27 Ca 0.13 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 2kvu h ASP 27 Cb 0.28 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2kvu h ASP 27 CO 0.00 0.11 -0.38 -0.78 -2.88 0.00 0.00 179.24 175.32 2kvu h ASP 28 N 0.00 0.00 -4.18 2.28 3.58 -1.60 -3.44 116.42 113.07 2kvu h ASP 28 Ca -0.01 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.97 2kvu h ASP 28 Cb 1.09 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.16 2kvu h ASP 28 CO 0.01 0.38 0.37 -0.04 -2.88 0.00 0.00 179.24 177.09 2kvu s MET 29 N -3.24 3.91 0.81 0.28 -1.94 -0.06 -5.07 119.30 113.98 2kvu s MET 29 Ca 0.03 1.01 -0.07 0.00 -1.71 0.00 0.00 55.69 54.95 2kvu s MET 29 Cb 0.09 -2.13 0.14 0.00 2.01 0.00 0.00 34.83 34.94 2kvu s MET 29 CO 0.70 -0.31 1.12 0.15 -0.01 0.00 0.00 175.02 176.68 2kvu s LYS 30 N -3.95 1.37 0.32 2.03 1.02 -1.26 -4.90 119.74 114.37 2kvu s LYS 30 Ca 0.60 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.88 2kvu s LYS 30 Cb -0.11 -2.13 0.54 0.00 -0.52 0.00 0.00 37.83 35.61 2kvu s LYS 30 CO 0.30 -1.77 1.90 0.28 -0.92 0.00 0.00 175.35 175.13 2kvu h VAL 31 N -0.95 1.19 0.70 3.17 2.07 -1.97 -2.15 116.25 118.31 2kvu h VAL 31 Ca -0.41 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2kvu h VAL 31 Cb 1.26 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kvu h VAL 31 CO 0.42 0.24 -0.34 0.00 0.02 0.00 0.00 177.57 177.92 2kvu h ALA 32 N 1.47 -0.94 0.00 1.67 0.00 -1.99 -2.03 119.26 117.45 2kvu h ALA 32 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kvu h ALA 32 Cb 0.17 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kvu h ALA 32 CO -0.02 -0.90 -0.08 1.05 0.00 0.00 0.00 179.25 179.30 2kvu h GLU 33 N -1.19 0.00 -0.63 0.00 9.09 -1.94 -0.15 114.58 119.76 2kvu h GLU 33 Ca -0.10 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.25 2kvu h GLU 33 Cb 0.74 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.81 2kvu h GLU 33 CO 0.16 0.08 0.14 -0.07 0.05 0.00 0.00 179.01 179.36 2kvu h LEU 34 N 0.00 0.98 -1.02 3.06 3.38 -1.32 -2.42 115.31 117.97 2kvu h LEU 34 Ca -0.00 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2kvu h LEU 34 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kvu h LEU 34 CO 0.01 0.97 -0.46 0.11 0.09 0.00 0.00 178.44 179.16 2kvu h LYS 35 N 0.94 0.00 -0.55 1.13 1.57 -0.44 -2.62 116.57 116.60 2kvu h LYS 35 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2kvu h LYS 35 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2kvu h LYS 35 CO 0.01 0.46 0.36 1.96 -0.57 0.00 0.00 179.45 181.67 2kvu h GLN 36 N 0.00 0.73 -0.12 3.15 1.08 -0.62 0.16 115.11 119.50 2kvu h GLN 36 Ca -0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2kvu h GLN 36 Cb 0.87 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2kvu h GLN 36 CO 0.06 0.49 0.07 0.93 -0.95 0.00 0.00 178.83 179.44 2kvu h GLU 37 N 0.75 0.15 0.03 1.46 4.39 -1.28 -2.48 114.58 117.61 2kvu h GLU 37 Ca 0.20 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.91 2kvu h GLU 37 Cb -0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2kvu h GLU 37 CO -0.04 0.12 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.74 2kvu h LEU 38 N 0.14 -0.32 -1.25 1.33 3.38 -1.05 -0.02 115.31 117.51 2kvu h LEU 38 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kvu h LEU 38 Cb 0.00 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kvu h LEU 38 CO -0.01 -0.17 0.00 0.07 0.09 0.00 0.00 178.44 178.42 2kvu h LYS 39 N -0.21 0.00 0.04 1.13 2.10 -0.69 0.40 116.57 119.33 2kvu h LYS 39 Ca 0.03 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.39 2kvu h LYS 39 Cb 0.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 2kvu h LYS 39 CO -0.09 0.00 -1.57 -0.07 -2.00 0.00 0.00 179.45 175.72 2kvu h LEU 40 N 0.00 0.13 -3.63 7.07 3.38 -1.05 -3.38 115.31 117.82 2kvu h LEU 40 Ca 0.00 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.55 2kvu h LEU 40 Cb 0.53 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2kvu h LEU 40 CO 0.00 1.19 0.21 0.54 0.09 0.00 0.00 178.44 180.47 2kvu n ARG 41 N -3.24 3.20 -3.29 1.13 1.74 -0.06 -4.91 116.66 111.23 2kvu n ARG 41 Ca -0.15 -3.07 -0.19 0.00 -0.77 0.00 0.00 57.85 53.67 2kvu n ARG 41 Cb 1.03 -2.10 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.45 -5.56 -4.45 0.55 2.88 -0.94 -4.99 113.62 100.67 2kvu n SER 42 Ca 0.39 -0.40 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 2kvu n SER 42 Cb 1.29 -4.21 -0.12 0.00 -0.75 0.00 0.00 64.21 60.42 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 -6.05 2.59 0.02 2.46 1.43 0.13 -5.03 118.68 114.23 2kvu s LEU 43 Ca 0.43 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 2kvu s LEU 43 Cb -0.19 -1.50 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 2kvu s LEU 43 CO 0.54 0.24 1.84 -2.84 0.23 0.00 0.00 176.35 176.35 2kvu s PRO 44 N -1.59 4.16 0.13 1.29 0.02 -1.26 -3.86 135.00 133.88 2kvu s PRO 44 Ca 0.15 2.46 0.26 0.00 0.02 0.00 0.00 61.00 63.89 2kvu s PRO 44 Cb -0.10 -4.02 0.69 0.00 0.02 0.00 0.00 34.50 31.09 2kvu s PRO 44 CO 0.06 -0.90 1.62 1.33 -0.33 0.00 0.00 177.00 178.78 2kvu n VAL 45 N 5.39 0.38 -2.30 3.83 0.24 -1.26 -4.85 118.33 119.76 2kvu n VAL 45 Ca 0.19 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.34 61.85 2kvu n VAL 45 Cb 0.41 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 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 -4.07 6.96 0.00 -1.34 1.04 -1.26 -4.90 113.70 110.13 2kvu s SER 46 Ca 0.10 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.71 2kvu s SER 46 Cb 0.14 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2kvu s SER 46 CO 0.64 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2kvu n GLY 47 N 3.22 3.39 3.23 7.32 0.00 -1.26 -4.91 105.19 116.18 2kvu n GLY 47 Ca 0.10 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 2kvu n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kvu n THR 48 N -1.88 0.00 -0.16 2.61 -2.24 -1.26 -4.77 114.28 106.58 2kvu n THR 48 Ca 0.00 -1.11 -0.02 0.00 -2.27 0.00 0.00 64.05 60.65 2kvu n THR 48 Cb 0.00 -1.23 0.07 0.00 -2.10 0.00 0.00 70.33 67.07 2kvu n THR 48 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2kvu h LYS 49 N 0.00 0.24 -0.52 -0.78 1.63 -1.99 0.01 116.57 115.15 2kvu h LYS 49 Ca -0.31 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2kvu h LYS 49 Cb 1.01 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.56 2kvu h LYS 49 CO 0.28 0.16 0.31 1.15 -3.45 0.00 0.00 179.45 177.90 2kvu h THR 50 N 0.24 1.16 -0.23 1.00 2.02 -2.00 -2.13 112.91 112.97 2kvu h THR 50 Ca 0.25 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 67.08 2kvu h THR 50 Cb 0.33 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2kvu h THR 50 CO -0.32 0.16 0.13 -0.33 0.37 0.00 0.00 175.52 175.54 2kvu h GLU 51 N 0.70 0.27 -0.33 6.66 4.39 -1.67 -1.70 114.58 122.90 2kvu h GLU 51 Ca 0.19 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.89 2kvu h GLU 51 Cb -0.01 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2kvu h GLU 51 CO -0.03 0.18 0.16 -0.07 -1.16 0.00 0.00 179.01 178.09 2kvu h LEU 52 N 0.28 0.24 0.16 1.33 3.38 -0.81 0.54 115.31 120.42 2kvu h LEU 52 Ca 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kvu h LEU 52 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kvu h LEU 52 CO -0.04 0.18 -0.08 0.40 0.09 0.00 0.00 178.44 178.99 2kvu h ILE 53 N 0.34 0.85 -0.64 1.22 2.04 -1.19 -1.51 117.51 118.63 2kvu h ILE 53 Ca 0.14 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2kvu h ILE 53 Cb 0.05 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2kvu h ILE 53 CO -0.10 0.01 0.09 -0.33 0.00 0.00 0.00 178.15 177.82 2kvu h GLU 54 N -0.23 1.08 -0.78 2.37 5.08 -1.10 -0.70 114.58 120.30 2kvu h GLU 54 Ca -0.02 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2kvu h GLU 54 Cb 0.17 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2kvu h GLU 54 CO 0.04 1.00 0.35 -0.09 -1.00 0.00 0.00 179.01 179.31 2kvu h ARG 55 N 0.99 1.13 -0.34 2.33 2.43 -0.79 0.30 114.38 120.43 2kvu h ARG 55 Ca 0.19 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2kvu h ARG 55 Cb 0.46 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2kvu h ARG 55 CO 0.02 0.90 0.09 -0.07 -1.51 0.00 0.00 179.97 179.39 2kvu h LEU 56 N 1.11 0.52 -0.61 3.80 3.38 -1.01 -1.00 115.31 121.50 2kvu h LEU 56 Ca 0.26 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2kvu h LEU 56 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2kvu h LEU 56 CO -0.03 0.61 0.36 0.03 0.09 0.00 0.00 178.44 179.51 2kvu h ARG 57 N 0.40 0.68 -0.38 1.13 3.08 -0.60 0.12 114.38 118.81 2kvu h ARG 57 Ca 0.11 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2kvu h ARG 57 Cb 0.29 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2kvu h ARG 57 CO 0.00 0.45 -0.23 0.00 -1.07 0.00 0.00 179.97 179.12 2kvu h ALA 58 N 1.28 0.86 0.03 0.04 0.00 -0.87 -2.21 119.26 118.39 2kvu h ALA 58 Ca 0.25 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kvu h ALA 58 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kvu h ALA 58 CO -0.12 0.63 -0.01 -0.92 0.00 0.00 0.00 179.25 178.83 2kvu h TYR 59 N 0.67 -0.03 0.00 0.00 3.20 -0.56 -3.19 116.97 117.06 2kvu h TYR 59 Ca 0.09 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2kvu h TYR 59 Cb 0.75 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2kvu h TYR 59 CO 0.04 0.36 -0.34 0.37 -1.64 0.00 0.00 178.16 176.95 2kvu h GLN 60 N -0.43 0.00 -0.92 1.82 4.15 -0.81 -2.61 115.11 116.31 2kvu h GLN 60 Ca -0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 2kvu h GLN 60 Cb 0.41 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.02 2kvu h GLN 60 CO 0.01 0.34 0.56 0.22 -1.93 0.00 0.00 178.83 178.02 2kvu h ASP 61 N 0.00 0.82 0.41 -0.69 3.58 -1.38 0.34 116.42 119.49 2kvu h ASP 61 Ca -0.00 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2kvu h ASP 61 Cb 0.64 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2kvu h ASP 61 CO 0.04 0.46 -0.29 1.56 -2.88 0.00 0.00 179.24 178.13 2kvu h GLN 62 N 0.92 0.00 0.00 0.28 4.20 -1.49 -3.24 115.11 115.78 2kvu h GLN 62 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2kvu h GLN 62 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2kvu h GLN 62 CO -0.25 0.29 -0.08 0.82 -0.67 0.00 0.00 178.83 178.94 2kvu h ILE 63 N 0.00 0.00 -3.55 2.54 2.04 -1.09 -3.48 117.51 113.98 2kvu h ILE 63 Ca -0.00 -0.90 -0.21 0.00 1.00 0.00 0.00 64.86 64.74 2kvu h ILE 63 Cb 0.58 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 36.38 2kvu h ILE 63 CO 0.04 0.00 -0.63 -0.44 0.00 0.00 0.00 178.15 177.12 2kvu s SER 64 N -5.34 -0.08 1.05 1.72 0.01 0.10 -5.13 113.70 106.04 2kvu s SER 64 Ca -0.02 0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 2kvu s SER 64 Cb 0.00 0.15 0.22 0.00 0.21 0.00 0.00 66.02 66.61 2kvu s SER 64 CO 0.03 -0.03 1.08 -2.16 0.41 0.00 0.00 173.24 172.58 2kvu s PRO 65 N 0.05 -0.02 0.59 12.44 0.04 -1.26 -3.86 135.00 142.99 2kvu s PRO 65 Ca -0.00 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.33 2kvu s PRO 65 Cb -0.01 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2kvu s PRO 65 CO 0.00 -3.03 1.30 0.14 0.04 0.00 0.00 177.00 175.45 2kvu s VAL 66 N -2.89 2.17 0.03 -0.36 -7.23 -1.26 -4.97 120.40 105.90 2kvu s VAL 66 Ca 0.66 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.65 2kvu s VAL 66 Cb -0.19 -3.05 -0.17 0.00 0.56 0.00 0.00 36.38 33.53 2kvu s VAL 66 CO 0.59 -0.01 1.29 1.55 -0.31 0.00 0.00 175.10 178.20 2kvu h PRO 67 N 1.02 -1.00 -2.28 4.82 0.13 -2.02 -3.42 132.00 129.26 2kvu h PRO 67 Ca -0.51 0.07 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 2kvu h PRO 67 Cb 1.31 0.23 -0.35 0.00 0.13 0.00 0.00 31.00 32.32 2kvu h PRO 67 CO 0.55 -0.65 -0.82 0.20 -0.23 0.00 0.00 178.00 177.05 2kvu s GLY 68 N -2.30 0.59 0.25 1.56 0.00 -1.26 -5.08 107.32 101.07 2kvu s GLY 68 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.87 2kvu s GLY 68 CO 0.50 2.36 0.00 0.00 0.00 0.00 0.00 173.10 175.95 2kvu n ALA 69 N 3.75 -1.62 -2.04 3.20 0.00 -1.26 -4.80 120.51 117.74 2kvu n ALA 69 Ca 0.16 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2kvu n ALA 69 Cb 0.43 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -4.92 3.36 -0.78 0.00 0.02 -1.26 -4.92 135.00 126.50 2kvu s PRO 70 Ca 0.00 1.37 -0.25 0.00 0.02 0.00 0.00 61.00 62.13 2kvu s PRO 70 Cb 0.00 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.30 2kvu s PRO 70 CO 0.00 -1.82 1.93 0.15 -0.33 0.00 0.00 177.00 176.93 2kvu s LYS 71 N 5.57 2.55 -0.44 5.54 3.01 -1.26 -4.70 119.74 130.02 2kvu s LYS 71 Ca 0.77 0.10 0.08 0.00 -1.01 0.00 0.00 55.97 55.91 2kvu s LYS 71 Cb -0.21 -4.79 0.33 0.00 -1.01 0.00 0.00 37.83 32.15 2kvu s LYS 71 CO 0.33 -3.15 1.03 0.00 0.51 0.00 0.00 175.35 174.07 2kvu n ALA 72 N 13.64 -0.02 -3.20 5.17 0.00 -1.26 -5.00 120.51 129.84 2kvu n ALA 72 Ca 0.33 -1.96 -0.45 0.00 0.00 0.00 0.00 53.44 51.36 2kvu n ALA 72 Cb 0.49 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 2kvu n ALA 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kvu s PRO 73 N -0.43 3.98 -0.86 0.00 0.04 -1.26 -4.58 135.00 131.89 2kvu s PRO 73 Ca 0.27 -2.75 -0.04 0.00 0.04 0.00 0.00 61.00 58.51 2kvu s PRO 73 Cb 0.31 -4.68 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 2kvu s PRO 73 CO -0.06 -1.43 0.74 0.00 0.04 0.00 0.00 177.00 176.29 2kvu n ALA 74 N 4.05 -2.55 -0.84 8.56 0.00 -1.26 -5.32 120.51 123.15 2kvu n ALA 74 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kvu n ALA 74 Cb 0.43 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2kvu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50