#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krk n GLY 2 N 0.00 0.64 0.00 3.03 0.00 -1.26 -5.03 105.19 102.57 2krk n GLY 2 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2krk n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2krk n HIS 3 N -0.35 0.00 -4.07 1.61 -0.00 -1.26 -4.97 115.22 106.18 2krk n HIS 3 Ca 0.00 -0.34 -0.32 0.00 -0.00 0.00 0.00 57.72 57.06 2krk n HIS 3 Cb 0.12 -0.03 -0.15 0.00 -0.00 0.00 0.00 29.99 29.92 2krk n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2krk s HIS 4 N -0.67 3.02 -0.59 4.41 0.09 -1.26 -5.09 115.29 115.19 2krk s HIS 4 Ca 0.00 -2.05 -0.20 0.00 -0.00 0.00 0.00 55.06 52.81 2krk s HIS 4 Cb 0.00 -1.88 0.08 0.00 -0.00 0.00 0.00 32.58 30.78 2krk s HIS 4 CO 0.00 -0.84 0.77 -1.01 -0.00 0.00 0.00 174.74 173.65 2krk s HIS 5 N 1.19 2.92 0.13 1.40 4.02 -1.26 -5.00 115.29 118.68 2krk s HIS 5 Ca -0.04 -0.74 -0.03 0.00 1.02 0.00 0.00 55.06 55.26 2krk s HIS 5 Cb -0.18 -4.00 -0.03 0.00 -1.02 0.00 0.00 32.58 27.35 2krk s HIS 5 CO -0.07 -1.34 0.10 -1.01 1.02 0.00 0.00 174.74 173.44 2krk s HIS 6 N 3.08 0.71 -0.14 1.40 0.09 -1.26 -5.18 115.29 113.99 2krk s HIS 6 Ca 0.16 -1.10 -0.24 0.00 -0.00 0.00 0.00 55.06 53.88 2krk s HIS 6 Cb -0.21 -0.37 0.06 0.00 -0.00 0.00 0.00 32.58 32.06 2krk s HIS 6 CO 0.09 -0.55 0.59 -1.58 -0.00 0.00 0.00 174.74 173.28 2krk s HIS 7 N -4.01 -0.59 -0.68 1.40 5.65 -1.26 -5.11 115.29 110.68 2krk s HIS 7 Ca 0.20 1.26 -0.23 0.00 0.25 0.00 0.00 55.06 56.55 2krk s HIS 7 Cb 0.06 0.27 0.07 0.00 -1.18 0.00 0.00 32.58 31.80 2krk s HIS 7 CO -0.00 -0.43 1.00 -1.01 -0.65 0.00 0.00 174.74 173.65 2krk s HIS 8 N -0.43 2.66 0.22 3.88 0.09 -1.26 -5.00 115.29 115.44 2krk s HIS 8 Ca -0.06 -0.55 -0.01 0.00 -0.00 0.00 0.00 55.06 54.44 2krk s HIS 8 Cb -0.03 -4.33 -0.04 0.00 -0.00 0.00 0.00 32.58 28.19 2krk s HIS 8 CO 0.04 -1.68 0.17 -1.12 -0.00 0.00 0.00 174.74 172.15 2krk s SER 9 N 3.70 0.27 0.01 1.40 0.01 -1.26 -5.17 113.70 112.66 2krk s SER 9 Ca 0.24 -1.39 0.02 0.00 1.31 0.00 0.00 55.95 56.12 2krk s SER 9 Cb -0.16 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2krk s SER 9 CO 0.10 -0.89 0.01 -1.38 0.41 0.00 0.00 173.24 171.49 2krk s HIS 10 N -4.08 3.08 0.30 2.43 0.00 -1.26 -5.04 115.29 110.73 2krk s HIS 10 Ca 0.38 0.08 -0.29 0.00 -3.00 0.00 0.00 55.06 52.22 2krk s HIS 10 Cb 0.06 -1.66 -0.12 0.00 -4.00 0.00 0.00 32.58 26.85 2krk s HIS 10 CO 0.13 0.47 1.41 -2.30 -1.00 0.00 0.00 174.74 173.45 2krk n PRO 11 N 1.29 2.27 -1.87 -0.38 -0.02 -1.26 -4.95 135.00 130.08 2krk n PRO 11 Ca -0.14 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 2krk n PRO 11 Cb 0.53 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2krk n PRO 11 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2krk s ASN 12 N 0.06 5.49 0.21 2.55 2.47 -1.26 -4.78 114.94 119.68 2krk s ASN 12 Ca 0.61 2.70 -0.09 0.00 0.42 0.00 0.00 52.86 56.50 2krk s ASN 12 Cb -0.57 -2.63 0.23 0.00 -1.45 0.00 0.00 41.25 36.83 2krk s ASN 12 CO 0.56 -1.42 1.82 -0.08 -3.72 0.00 0.00 177.10 174.26 2krk h GLU 13 N 1.65 0.71 -0.84 0.43 4.81 -1.99 0.53 114.58 119.87 2krk h GLU 13 Ca -0.51 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2krk h GLU 13 Cb 1.29 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2krk h GLU 13 CO 0.58 0.47 0.56 0.93 -0.73 0.00 0.00 179.01 180.82 2krk h GLU 14 N 0.73 1.06 0.01 1.92 4.39 -1.99 -2.09 114.58 118.61 2krk h GLU 14 Ca 0.30 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 2krk h GLU 14 Cb 0.15 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2krk h GLU 14 CO -0.17 0.70 -0.00 0.00 -1.16 0.00 0.00 179.01 178.38 2krk h ALA 15 N 1.49 -0.01 -0.33 3.43 0.00 -1.32 0.01 119.26 122.53 2krk h ALA 15 Ca 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2krk h ALA 15 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2krk h ALA 15 CO -0.08 -0.29 0.11 0.07 0.00 0.00 0.00 179.25 179.06 2krk h ARG 16 N -0.44 0.47 -0.36 0.00 0.11 -1.10 -1.08 114.38 111.97 2krk h ARG 16 Ca -0.00 -0.06 -0.12 0.00 0.10 0.00 0.00 59.98 59.90 2krk h ARG 16 Cb 0.44 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2krk h ARG 16 CO 0.00 0.41 -0.27 1.25 0.10 0.00 0.00 179.97 181.46 2krk h LEU 17 N 0.47 0.77 -0.30 0.08 5.85 -1.29 -2.73 115.31 118.15 2krk h LEU 17 Ca 0.11 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2krk h LEU 17 Cb 0.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2krk h LEU 17 CO -0.01 1.00 0.19 -0.78 -0.34 0.00 0.00 178.44 178.50 2krk h ASP 18 N 0.64 0.36 -0.50 1.25 1.82 0.21 -1.24 116.42 118.97 2krk h ASP 18 Ca 0.08 -0.03 0.05 0.00 -0.39 0.00 0.00 57.03 56.74 2krk h ASP 18 Cb 0.79 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 2krk h ASP 18 CO 0.06 0.29 0.22 0.40 -1.61 0.00 0.00 179.24 178.60 2krk h ILE 19 N 0.40 0.90 -0.57 2.25 2.04 -1.25 -1.73 117.51 119.55 2krk h ILE 19 Ca 0.11 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2krk h ILE 19 Cb -0.01 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2krk h ILE 19 CO -0.02 0.08 0.36 -0.07 0.00 0.00 0.00 178.15 178.50 2krk h LEU 20 N 0.43 0.61 -1.23 1.44 3.38 -1.19 -1.03 115.31 117.71 2krk h LEU 20 Ca 0.23 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.24 2krk h LEU 20 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2krk h LEU 20 CO -0.19 0.43 0.54 0.11 0.09 0.00 0.00 178.44 179.41 2krk h LYS 21 N 0.73 0.93 0.48 1.13 1.57 -0.76 0.79 116.57 121.44 2krk h LYS 21 Ca 0.22 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2krk h LYS 21 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.08 2krk h LYS 21 CO -0.08 0.62 -0.23 0.82 -0.57 0.00 0.00 179.45 180.01 2krk h ILE 22 N 0.96 0.46 -0.69 1.86 2.04 -0.54 -3.25 117.51 118.35 2krk h ILE 22 Ca 0.34 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2krk h ILE 22 Cb 0.12 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2krk h ILE 22 CO -0.11 0.05 0.39 0.45 0.00 0.00 0.00 178.15 178.93 2krk h HIS 23 N -0.88 0.93 -0.00 1.37 3.86 -1.01 -2.46 115.15 116.96 2krk h HIS 23 Ca -0.07 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2krk h HIS 23 Cb 0.59 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2krk h HIS 23 CO 0.00 0.64 0.01 0.66 0.86 0.00 0.00 177.93 180.10 2krk h SER 24 N 0.96 0.00 0.24 2.45 4.64 -0.88 -1.80 113.55 119.16 2krk h SER 24 Ca 0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2krk h SER 24 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2krk h SER 24 CO -0.04 0.00 -0.02 0.03 -0.87 0.00 0.00 176.83 175.93 2krk h ARG 25 N 0.00 0.00 -0.00 4.77 3.08 -1.47 -0.98 114.38 119.78 2krk h ARG 25 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2krk h ARG 25 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2krk h ARG 25 CO -0.00 0.02 -0.37 1.63 -1.07 0.00 0.00 179.97 180.18 2krk n LYS 26 N -3.31 0.33 -4.98 0.04 4.76 -0.68 -4.92 118.16 109.40 2krk n LYS 26 Ca -0.02 -0.18 -0.29 0.00 -2.87 0.00 0.00 58.31 54.94 2krk n LYS 26 Cb 0.14 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.69 2krk n LYS 26 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2krk s MET 27 N -2.80 1.81 -0.56 1.97 -1.94 -0.37 -5.08 119.30 112.32 2krk s MET 27 Ca 0.17 -1.01 -0.27 0.00 -1.71 0.00 0.00 55.69 52.87 2krk s MET 27 Cb 0.18 -1.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 2krk s MET 27 CO 0.62 0.50 1.84 -0.80 -0.01 0.00 0.00 175.02 177.17 2krk s ASN 28 N -1.01 5.38 0.39 3.03 0.01 -1.26 -4.94 114.94 116.54 2krk s ASN 28 Ca 0.10 0.50 -0.23 0.00 -0.71 0.00 0.00 52.86 52.52 2krk s ASN 28 Cb -0.10 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 2krk s ASN 28 CO 0.01 -2.26 0.95 -0.76 -1.51 0.00 0.00 177.10 173.53 2krk s LEU 29 N 8.68 4.10 1.03 0.60 1.43 -1.26 0.42 118.68 133.68 2krk s LEU 29 Ca 0.69 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 2krk s LEU 29 Cb -0.14 -4.32 0.20 0.00 0.03 0.00 0.00 46.19 41.96 2krk s LEU 29 CO 0.23 -0.26 1.13 0.28 0.23 0.00 0.00 176.35 177.96 2krk s THR 30 N -1.93 1.89 -0.54 5.49 -1.32 -0.27 -4.79 115.64 114.17 2krk s THR 30 Ca 0.57 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.77 2krk s THR 30 Cb -0.13 -2.61 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 2krk s THR 30 CO 0.18 0.00 1.35 -0.13 -2.21 0.00 0.00 174.62 173.81 2krk s ARG 31 N -5.26 3.41 -0.25 7.08 3.00 -1.26 -3.73 118.95 121.95 2krk s ARG 31 Ca 0.67 0.50 -0.01 0.00 0.00 0.00 0.00 55.73 56.89 2krk s ARG 31 Cb -0.14 -4.07 -0.01 0.00 0.00 0.00 0.00 34.95 30.72 2krk s ARG 31 CO 0.55 -1.79 0.22 0.41 0.00 0.00 0.00 175.30 174.69 2krk n GLY 32 N 5.17 0.24 3.57 -3.53 0.00 -1.26 -5.02 105.19 104.37 2krk n GLY 32 Ca 0.12 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2krk n GLY 32 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2krk s ILE 33 N -3.08 4.97 -0.72 -0.61 2.07 -1.24 -5.01 121.20 117.57 2krk s ILE 33 Ca 0.09 0.55 -0.26 0.00 -1.41 0.00 0.00 60.65 59.62 2krk s ILE 33 Cb -0.01 -3.99 0.01 0.00 0.13 0.00 0.00 42.46 38.60 2krk s ILE 33 CO 0.18 -0.20 1.54 0.21 -1.91 0.00 0.00 174.94 174.75 2krk s ASN 34 N 1.73 5.80 0.28 4.50 3.84 -1.26 -4.83 114.94 125.01 2krk s ASN 34 Ca 0.22 -0.22 0.15 0.00 0.21 0.00 0.00 52.86 53.21 2krk s ASN 34 Cb -0.15 -2.55 0.13 0.00 -0.55 0.00 0.00 41.25 38.13 2krk s ASN 34 CO 0.13 -2.06 1.47 -0.07 -2.79 0.00 0.00 177.10 173.78 2krk h LEU 35 N 14.50 0.00 -0.34 3.21 3.38 -1.99 -3.32 115.31 130.75 2krk h LEU 35 Ca -0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2krk h LEU 35 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2krk h LEU 35 CO 1.26 0.51 -0.02 -0.09 0.09 0.00 0.00 178.44 180.19 2krk h ARG 36 N 0.00 0.62 -0.92 1.13 2.43 -1.95 -1.35 114.38 114.34 2krk h ARG 36 Ca -0.01 -0.21 0.19 0.00 -0.81 0.00 0.00 59.98 59.14 2krk h ARG 36 Cb 1.34 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 2krk h ARG 36 CO 0.07 0.75 0.60 -0.22 -1.51 0.00 0.00 179.97 179.65 2krk h LYS 37 N 0.42 0.53 0.17 0.20 3.11 -1.99 0.21 116.57 119.22 2krk h LYS 37 Ca 0.09 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 2krk h LYS 37 Cb 0.49 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2krk h LYS 37 CO 0.02 0.35 -0.08 0.82 -2.81 0.00 0.00 179.45 177.75 2krk h ILE 38 N 0.54 0.96 -0.95 2.00 1.08 -1.55 -3.17 117.51 116.42 2krk h ILE 38 Ca 0.49 -0.79 0.10 0.00 -0.39 0.00 0.00 64.86 64.27 2krk h ILE 38 Cb 1.01 1.42 -0.07 0.00 -3.07 0.00 0.00 36.82 36.11 2krk h ILE 38 CO -0.22 0.18 0.61 0.00 -0.69 0.00 0.00 178.15 178.02 2krk h ALA 39 N 0.10 1.56 0.00 1.87 0.00 -0.14 -1.02 119.26 121.64 2krk h ALA 39 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2krk h ALA 39 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2krk h ALA 39 CO 0.04 0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.45 2krk h GLU 40 N 0.97 0.00 -0.01 0.00 5.08 -0.64 -0.62 114.58 119.36 2krk h GLU 40 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2krk h GLU 40 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2krk h GLU 40 CO -0.21 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.08 2krk n LEU 41 N -2.90 0.60 -4.11 1.33 4.77 -0.39 -4.48 117.00 111.83 2krk n LEU 41 Ca -0.01 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.41 2krk n LEU 41 Cb 0.17 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2krk n LEU 41 CO 0.21 0.10 0.34 -0.04 -1.33 0.00 0.00 177.39 176.67 2krk s MET 42 N -2.00 3.26 -0.53 3.23 -1.94 -0.24 -4.95 119.30 116.13 2krk s MET 42 Ca 0.44 -3.24 -0.27 0.00 -1.71 0.00 0.00 55.69 50.90 2krk s MET 42 Cb 0.21 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 33.06 2krk s MET 42 CO 0.35 -1.26 1.99 -1.25 -0.01 0.00 0.00 175.02 174.84 2krk s PRO 43 N -1.29 2.61 -1.69 2.03 0.04 -1.26 -3.09 135.00 132.34 2krk s PRO 43 Ca 0.27 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2krk s PRO 43 Cb -0.08 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2krk s PRO 43 CO -0.12 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2krk n GLY 44 N 5.73 0.31 3.77 0.56 0.00 -1.26 -4.97 105.19 109.33 2krk n GLY 44 Ca 0.25 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2krk n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krk s ALA 45 N -2.84 3.26 0.63 4.61 0.00 -1.18 -4.77 121.76 121.46 2krk s ALA 45 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 2krk s ALA 45 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2krk s ALA 45 CO 0.00 -0.33 1.21 -1.12 0.00 0.00 0.00 175.76 175.53 2krk s SER 46 N -1.09 4.89 0.33 0.00 0.01 -1.26 -4.50 113.70 112.07 2krk s SER 46 Ca 0.52 2.39 0.07 0.00 1.31 0.00 0.00 55.95 60.24 2krk s SER 46 Cb -0.30 -2.60 0.75 0.00 0.21 0.00 0.00 66.02 64.08 2krk s SER 46 CO 0.38 -1.80 1.84 1.23 0.41 0.00 0.00 173.24 175.30 2krk h GLY 47 N 0.53 1.43 1.27 3.44 0.00 -2.00 0.51 103.07 108.26 2krk h GLY 47 Ca -0.50 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 46.51 2krk h GLY 47 CO 0.54 0.07 0.47 0.00 0.00 0.00 0.00 176.54 177.62 2krk h ALA 48 N 1.59 1.52 -0.24 3.60 0.00 -2.02 -2.53 119.26 121.19 2krk h ALA 48 Ca 0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 2krk h ALA 48 Cb 0.73 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2krk h ALA 48 CO -0.26 0.44 -0.22 0.93 0.00 0.00 0.00 179.25 180.14 2krk h GLU 49 N 0.94 0.43 -0.70 0.00 4.39 -1.25 -2.15 114.58 116.24 2krk h GLU 49 Ca 0.27 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.95 2krk h GLU 49 Cb -0.07 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 2krk h GLU 49 CO -0.06 0.62 0.47 0.28 -1.16 0.00 0.00 179.01 179.16 2krk h VAL 50 N 0.39 0.83 -0.71 3.13 2.07 -1.15 0.13 116.25 120.93 2krk h VAL 50 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2krk h VAL 50 Cb 0.60 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2krk h VAL 50 CO 0.04 0.07 0.39 0.50 0.02 0.00 0.00 177.57 178.59 2krk h LYS 51 N 0.40 0.97 -0.67 1.57 3.64 -1.42 -2.84 116.57 118.22 2krk h LYS 51 Ca 0.33 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2krk h LYS 51 Cb 0.75 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2krk h LYS 51 CO -0.10 0.71 0.23 0.78 -2.27 0.00 0.00 179.45 178.81 2krk h GLY 52 N 1.03 1.08 0.99 5.01 0.00 -0.77 -2.23 103.07 108.18 2krk h GLY 52 Ca 0.25 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2krk h GLY 52 CO -0.04 0.56 -0.19 -2.08 0.00 0.00 0.00 176.54 174.79 2krk h VAL 53 N 0.98 0.61 -0.34 4.60 2.07 -1.26 0.07 116.25 122.98 2krk h VAL 53 Ca 0.22 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2krk h VAL 53 Cb 0.24 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2krk h VAL 53 CO -0.01 0.01 0.03 0.00 0.02 0.00 0.00 177.57 177.62 2krk h THR 55 N 0.50 1.08 -0.42 0.00 2.02 -1.23 -2.92 112.91 111.94 2krk h THR 55 Ca 0.11 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.42 2krk h THR 55 Cb 0.27 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2krk h THR 55 CO 0.00 0.21 0.27 -0.33 0.37 0.00 0.00 175.52 176.04 2krk h GLU 56 N -0.57 0.53 -0.68 6.66 4.39 -0.86 -2.64 114.58 121.41 2krk h GLU 56 Ca -0.02 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.78 2krk h GLU 56 Cb 0.46 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.90 2krk h GLU 56 CO 0.03 0.35 0.20 0.00 -1.16 0.00 0.00 179.01 178.42 2krk h ALA 57 N 1.17 0.87 -0.52 3.43 0.00 -1.24 0.12 119.26 123.10 2krk h ALA 57 Ca 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2krk h ALA 57 Cb -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2krk h ALA 57 CO -0.05 -0.27 0.19 0.78 0.00 0.00 0.00 179.25 179.90 2krk h GLY 58 N 0.33 0.80 1.26 0.00 0.00 -1.29 -2.78 103.07 101.39 2krk h GLY 58 Ca 0.37 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 2krk h GLY 58 CO -0.42 0.39 -0.30 -0.33 0.00 0.00 0.00 176.54 175.87 2krk h MET 59 N 0.74 0.82 -0.64 4.80 2.07 -0.67 -1.33 114.93 120.73 2krk h MET 59 Ca 0.18 -0.38 0.00 0.00 -2.07 0.00 0.00 59.70 57.43 2krk h MET 59 Cb 0.18 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 2krk h MET 59 CO -0.01 1.02 0.42 1.88 1.07 0.00 0.00 176.91 181.28 2krk h TYR 60 N 0.70 0.82 -0.70 -0.22 0.05 -1.12 -1.42 116.97 115.07 2krk h TYR 60 Ca 0.08 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.92 2krk h TYR 60 Cb 0.85 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 2krk h TYR 60 CO 0.05 0.53 0.42 0.00 -1.05 0.00 0.00 178.16 178.10 2krk h ALA 61 N 1.22 0.94 0.62 3.88 0.00 -1.25 -0.99 119.26 123.68 2krk h ALA 61 Ca 0.23 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2krk h ALA 61 Cb -0.08 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2krk h ALA 61 CO -0.05 0.14 -0.30 -0.07 0.00 0.00 0.00 179.25 178.97 2krk h LEU 62 N 0.78 -0.70 -0.75 0.00 3.38 -0.48 0.49 115.31 118.03 2krk h LEU 62 Ca 0.30 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2krk h LEU 62 Cb 0.13 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2krk h LEU 62 CO -0.15 -0.49 0.35 0.08 0.09 0.00 0.00 178.44 178.32 2krk h ARG 63 N -0.85 1.08 -0.64 1.13 0.11 -1.25 -2.55 114.38 111.41 2krk h ARG 63 Ca -0.08 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.83 2krk h ARG 63 Cb 0.64 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2krk h ARG 63 CO 0.14 0.85 0.00 0.39 0.10 0.00 0.00 179.97 181.45 2krk n GLU 64 N -4.39 2.65 -1.38 0.08 1.02 -0.38 -4.90 120.64 113.34 2krk n GLU 64 Ca 0.06 -1.59 -0.13 0.00 -0.02 0.00 0.00 57.16 55.49 2krk n GLU 64 Cb 0.14 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.81 2krk n GLU 64 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2krk n ARG 65 N 0.45 -1.40 -2.42 3.49 5.12 -0.08 -4.93 116.66 116.90 2krk n ARG 65 Ca 0.14 0.94 -0.43 0.00 -1.93 0.00 0.00 57.85 56.58 2krk n ARG 65 Cb 0.60 -5.22 -0.02 0.00 -1.16 0.00 0.00 32.46 26.65 2krk n ARG 65 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2krk s ARG 66 N -3.04 4.13 0.14 5.56 0.52 0.15 -4.91 118.95 121.50 2krk s ARG 66 Ca 0.00 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.73 2krk s ARG 66 Cb 0.00 -3.80 -0.07 0.00 0.52 0.00 0.00 34.95 31.60 2krk s ARG 66 CO 0.00 -0.85 1.33 0.28 0.02 0.00 0.00 175.30 176.08 2krk h VAL 67 N 5.65 1.48 -3.30 3.52 2.07 -1.91 -3.41 116.25 120.34 2krk h VAL 67 Ca -0.26 -2.66 -0.66 0.00 0.82 0.00 0.00 66.70 63.93 2krk h VAL 67 Cb 1.10 2.52 -0.29 0.00 -1.52 0.00 0.00 31.29 33.10 2krk h VAL 67 CO 0.99 0.78 -0.79 -1.38 0.02 0.00 0.00 177.57 177.19 2krk s HIS 68 N -3.14 2.79 0.15 1.57 0.00 -1.26 -4.64 115.29 110.76 2krk s HIS 68 Ca -0.03 -0.89 -0.27 0.00 -3.00 0.00 0.00 55.06 50.86 2krk s HIS 68 Cb 0.09 -1.88 -0.07 0.00 -4.00 0.00 0.00 32.58 26.72 2krk s HIS 68 CO 0.84 -0.38 0.85 0.08 -1.00 0.00 0.00 174.74 175.13 2krk s VAL 69 N 0.67 4.40 0.40 -5.38 1.01 0.17 -4.85 120.40 116.82 2krk s VAL 69 Ca -0.07 1.85 0.03 0.00 0.00 0.00 0.00 61.98 63.79 2krk s VAL 69 Cb -0.16 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2krk s VAL 69 CO 0.02 0.44 0.26 0.35 0.00 0.00 0.00 175.10 176.17 2krk n THR 70 N 2.07 0.00 0.20 3.92 -2.24 -1.26 -1.11 114.28 115.86 2krk n THR 70 Ca -0.03 -1.61 0.05 0.00 -2.27 0.00 0.00 64.05 60.19 2krk n THR 70 Cb 0.49 -0.09 0.43 0.00 -2.10 0.00 0.00 70.33 69.06 2krk n THR 70 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2krk h GLN 71 N 0.00 0.00 -0.46 -0.78 4.15 -1.97 -3.09 115.11 112.96 2krk h GLN 71 Ca -0.26 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 2krk h GLN 71 Cb 0.93 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 2krk h GLN 71 CO 0.41 0.31 0.22 0.93 -1.93 0.00 0.00 178.83 178.78 2krk h GLU 72 N 0.00 0.66 -0.28 1.69 5.08 -1.98 -2.13 114.58 117.62 2krk h GLU 72 Ca -0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2krk h GLU 72 Cb 0.61 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2krk h GLU 72 CO 0.04 0.56 0.12 -0.44 -1.00 0.00 0.00 179.01 178.29 2krk h ASP 73 N 0.60 0.16 -0.23 1.42 5.19 -1.89 -1.72 116.42 119.95 2krk h ASP 73 Ca 0.16 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2krk h ASP 73 Cb 0.11 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2krk h ASP 73 CO -0.02 0.13 0.12 -0.26 -3.12 0.00 0.00 179.24 176.08 2krk h PHE 74 N 0.26 0.33 -0.36 4.55 0.04 -1.56 -0.92 116.94 119.28 2krk h PHE 74 Ca 0.12 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 2krk h PHE 74 Cb 0.06 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2krk h PHE 74 CO -0.11 0.31 -0.13 1.05 -0.60 0.00 0.00 178.31 178.84 2krk h GLU 75 N 0.25 0.64 -0.58 1.51 4.11 -1.32 -0.46 114.58 118.73 2krk h GLU 75 Ca 0.08 -0.20 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2krk h GLU 75 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2krk h GLU 75 CO -0.01 0.75 0.19 0.52 0.07 0.00 0.00 179.01 180.52 2krk h MET 76 N 0.58 0.87 -0.35 1.06 2.86 -1.17 -1.52 114.93 117.26 2krk h MET 76 Ca 0.10 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2krk h MET 76 Cb 0.56 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2krk h MET 76 CO 0.04 0.75 0.20 0.00 1.06 0.00 0.00 176.91 178.96 2krk h ALA 77 N 1.35 0.45 -0.70 6.32 0.00 -0.35 -2.23 119.26 124.10 2krk h ALA 77 Ca 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2krk h ALA 77 Cb 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2krk h ALA 77 CO -0.01 -0.04 0.40 0.28 0.00 0.00 0.00 179.25 179.88 2krk h VAL 78 N 0.45 0.97 -0.80 0.00 2.07 -0.77 0.12 116.25 118.29 2krk h VAL 78 Ca 0.13 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2krk h VAL 78 Cb 0.03 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 2krk h VAL 78 CO -0.02 0.13 0.49 0.00 0.02 0.00 0.00 177.57 178.19 2krk h ALA 79 N 1.36 1.09 0.17 1.67 0.00 -1.05 0.51 119.26 123.01 2krk h ALA 79 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2krk h ALA 79 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2krk h ALA 79 CO -0.19 0.23 -0.08 -0.22 0.00 0.00 0.00 179.25 178.99 2krk h LYS 80 N 0.91 -0.22 -0.50 0.00 1.63 -0.75 0.23 116.57 117.86 2krk h LYS 80 Ca 0.35 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2krk h LYS 80 Cb 0.14 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 2krk h LYS 80 CO -0.16 0.16 0.28 0.28 -3.45 0.00 0.00 179.45 176.56 2krk h VAL 81 N -0.68 1.01 0.00 2.00 2.07 -0.66 -1.44 116.25 118.55 2krk h VAL 81 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2krk h VAL 81 Cb 0.49 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2krk h VAL 81 CO 0.04 0.10 -0.07 0.23 0.02 0.00 0.00 177.57 177.89 2krk n MET 82 N -4.84 0.20 -3.10 1.57 2.81 0.16 -4.94 117.12 108.98 2krk n MET 82 Ca 0.04 0.15 -0.23 0.00 -1.81 0.00 0.00 57.70 55.85 2krk n MET 82 Cb 0.10 -1.71 0.03 0.00 -0.71 0.00 0.00 33.22 30.93 2krk n MET 82 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2krk n GLN 83 N -2.05 -4.80 -3.48 0.03 6.02 0.64 -5.00 117.38 108.74 2krk n GLN 83 Ca 0.06 0.84 -0.23 0.00 -0.01 0.00 0.00 57.00 57.66 2krk n GLN 83 Cb 0.41 -5.69 0.03 0.00 1.02 0.00 0.00 30.24 26.01 2krk n GLN 83 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2krk s LYS 84 N -5.78 2.24 -1.50 -1.09 -2.85 -0.32 -4.66 119.74 105.79 2krk s LYS 84 Ca 0.33 -1.89 -0.06 0.00 -1.00 0.00 0.00 55.97 53.35 2krk s LYS 84 Cb -0.15 -2.35 0.02 0.00 -2.06 0.00 0.00 37.83 33.29 2krk s LYS 84 CO 0.41 -0.80 0.71 -0.25 0.10 0.00 0.00 175.35 175.52 2krk n ASP 85 N -2.04 -5.88 -0.46 0.03 8.00 -1.26 -4.71 116.55 110.22 2krk n ASP 85 Ca 0.07 -0.36 0.14 0.00 0.71 0.00 0.00 54.79 55.35 2krk n ASP 85 Cb 0.63 -4.73 0.54 0.00 -0.02 0.00 0.00 41.12 37.54 2krk n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27