#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krk s GLY 2 N 0.00 0.95 0.24 3.17 0.00 -1.26 -5.03 107.32 105.39 2krk s GLY 2 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2krk s GLY 2 CO 0.00 0.30 1.54 0.84 0.00 0.00 0.00 173.10 175.79 2krk h HIS 3 N 7.45 0.17 -0.73 1.90 -0.00 -2.14 -3.38 115.15 118.42 2krk h HIS 3 Ca -0.31 -0.07 -0.43 0.00 -0.00 0.00 0.00 60.37 59.56 2krk h HIS 3 Cb 1.17 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.49 2krk h HIS 3 CO 0.48 0.75 1.25 -1.01 -0.00 0.00 0.00 177.93 179.41 2krk s HIS 4 N -3.58 2.16 0.37 5.26 0.09 -1.26 -4.96 115.29 113.38 2krk s HIS 4 Ca -0.03 -0.10 -0.15 0.00 -0.00 0.00 0.00 55.06 54.78 2krk s HIS 4 Cb 0.12 -4.28 -0.09 0.00 -0.00 0.00 0.00 32.58 28.33 2krk s HIS 4 CO 0.79 -1.61 0.80 -3.38 -0.00 0.00 0.00 174.74 171.34 2krk s HIS 5 N 8.43 3.38 0.75 1.40 0.00 -1.26 -5.08 115.29 122.90 2krk s HIS 5 Ca 0.62 1.28 -0.08 0.00 -3.00 0.00 0.00 55.06 53.88 2krk s HIS 5 Cb -0.02 -2.60 0.08 0.00 -4.00 0.00 0.00 32.58 26.05 2krk s HIS 5 CO 0.04 -0.01 1.07 -1.01 -1.00 0.00 0.00 174.74 173.83 2krk s HIS 6 N -2.13 2.67 0.40 0.38 0.09 -1.26 -5.08 115.29 110.36 2krk s HIS 6 Ca 0.55 0.42 -0.12 0.00 -0.00 0.00 0.00 55.06 55.92 2krk s HIS 6 Cb -0.10 -3.33 -0.07 0.00 -0.00 0.00 0.00 32.58 29.08 2krk s HIS 6 CO 0.20 -1.63 0.78 -1.01 -0.00 0.00 0.00 174.74 173.08 2krk s HIS 7 N -3.36 3.45 0.09 1.40 0.09 -1.26 -5.11 115.29 110.59 2krk s HIS 7 Ca 0.62 1.11 0.02 0.00 -0.00 0.00 0.00 55.06 56.81 2krk s HIS 7 Cb -0.10 -2.49 -0.04 0.00 -0.00 0.00 0.00 32.58 29.96 2krk s HIS 7 CO 0.46 -0.09 -0.07 -1.01 -0.00 0.00 0.00 174.74 174.04 2krk s HIS 8 N -2.32 0.85 0.32 1.40 3.76 -1.26 -5.05 115.29 112.99 2krk s HIS 8 Ca 0.52 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2krk s HIS 8 Cb -0.10 -0.49 0.52 0.00 1.11 0.00 0.00 32.58 33.62 2krk s HIS 8 CO 0.29 -0.14 1.89 0.77 -0.85 0.00 0.00 174.74 176.70 2krk h SER 9 N 3.27 0.68 -3.59 1.40 0.02 -2.03 -3.37 113.55 109.93 2krk h SER 9 Ca -0.35 -0.09 -0.70 0.00 -0.84 0.00 0.00 61.79 59.81 2krk h SER 9 Cb 1.17 -0.18 -0.31 0.00 0.14 0.00 0.00 62.40 63.22 2krk h SER 9 CO 0.60 0.64 -0.58 -1.38 -1.14 0.00 0.00 176.83 174.97 2krk s HIS 10 N -5.29 3.38 0.51 3.45 0.00 -1.26 -4.43 115.29 111.64 2krk s HIS 10 Ca -0.09 -1.86 -0.01 0.00 -3.00 0.00 0.00 55.06 50.10 2krk s HIS 10 Cb 0.16 -2.68 0.01 0.00 -4.00 0.00 0.00 32.58 26.07 2krk s HIS 10 CO 0.78 -0.85 0.75 -1.25 -1.00 0.00 0.00 174.74 173.17 2krk s PRO 11 N 1.29 2.88 0.78 -0.38 0.04 -1.26 -5.10 135.00 133.25 2krk s PRO 11 Ca 0.01 -0.47 -0.12 0.00 0.04 0.00 0.00 61.00 60.46 2krk s PRO 11 Cb -0.21 -2.48 0.06 0.00 0.04 0.00 0.00 34.50 31.91 2krk s PRO 11 CO -0.00 -0.49 1.13 -0.80 0.04 0.00 0.00 177.00 176.87 2krk s ASN 12 N -4.29 4.20 0.13 6.66 -0.87 -1.26 -4.80 114.94 114.71 2krk s ASN 12 Ca 0.52 2.03 -0.19 0.00 -1.57 0.00 0.00 52.86 53.65 2krk s ASN 12 Cb -0.10 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.56 2krk s ASN 12 CO 0.39 -2.24 1.72 -0.08 -2.57 0.00 0.00 177.10 174.32 2krk h GLU 13 N -0.93 0.06 0.00 -0.60 4.81 -2.00 -0.07 114.58 115.85 2krk h GLU 13 Ca -0.45 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 2krk h GLU 13 Cb 1.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2krk h GLU 13 CO 0.49 0.04 -0.53 1.49 -0.73 0.00 0.00 179.01 179.77 2krk h GLU 14 N 0.06 0.00 -0.15 1.92 4.81 -1.98 -2.52 114.58 116.71 2krk h GLU 14 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2krk h GLU 14 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2krk h GLU 14 CO -0.18 0.53 0.06 0.00 -0.73 0.00 0.00 179.01 178.69 2krk h ALA 15 N 1.47 0.20 -0.16 2.92 0.00 -1.68 0.63 119.26 122.64 2krk h ALA 15 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2krk h ALA 15 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2krk h ALA 15 CO 0.07 -0.21 -0.20 0.07 0.00 0.00 0.00 179.25 178.98 2krk h ARG 16 N 0.09 0.27 -0.92 0.00 0.11 -1.05 -1.89 114.38 111.00 2krk h ARG 16 Ca 0.05 -0.08 0.01 0.00 0.10 0.00 0.00 59.98 60.06 2krk h ARG 16 Cb 0.18 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.18 2krk h ARG 16 CO -0.00 0.47 0.59 1.25 0.10 0.00 0.00 179.97 182.38 2krk h LEU 17 N 0.25 1.07 -0.95 0.08 5.85 -1.02 -1.85 115.31 118.73 2krk h LEU 17 Ca 0.04 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2krk h LEU 17 Cb 0.51 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2krk h LEU 17 CO 0.03 0.79 -0.00 -0.78 -0.34 0.00 0.00 178.44 178.14 2krk h ASP 18 N 1.25 0.73 -0.23 1.25 3.58 -0.13 -0.88 116.42 121.99 2krk h ASP 18 Ca 0.33 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.64 2krk h ASP 18 Cb -0.12 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 2krk h ASP 18 CO -0.07 0.80 0.04 0.40 -2.88 0.00 0.00 179.24 177.53 2krk h ILE 19 N 0.71 0.89 -0.99 2.25 2.04 -0.96 0.19 117.51 121.63 2krk h ILE 19 Ca 0.14 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2krk h ILE 19 Cb 0.44 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 2krk h ILE 19 CO 0.02 0.02 0.62 -0.07 0.00 0.00 0.00 178.15 178.74 2krk h LEU 20 N 0.13 0.89 -0.15 1.44 3.38 -0.92 -1.50 115.31 118.59 2krk h LEU 20 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2krk h LEU 20 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2krk h LEU 20 CO -0.14 0.46 0.08 0.11 0.09 0.00 0.00 178.44 179.03 2krk h LYS 21 N 0.96 0.21 -0.96 1.13 1.57 -0.21 -0.87 116.57 118.40 2krk h LYS 21 Ca 0.50 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.48 2krk h LYS 21 Cb 0.53 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 2krk h LYS 21 CO -0.28 0.25 0.52 0.82 -0.57 0.00 0.00 179.45 180.19 2krk h ILE 22 N 0.12 0.55 0.11 1.86 2.04 0.39 0.57 117.51 123.15 2krk h ILE 22 Ca 0.05 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.53 2krk h ILE 22 Cb 0.10 -0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2krk h ILE 22 CO -0.01 0.10 -0.82 0.45 0.00 0.00 0.00 178.15 177.87 2krk h HIS 23 N 0.55 0.62 0.00 1.37 3.86 -1.39 -3.35 115.15 116.80 2krk h HIS 23 Ca 0.60 -0.41 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 2krk h HIS 23 Cb 1.10 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 2krk h HIS 23 CO -0.05 1.29 -0.32 0.77 0.86 0.00 0.00 177.93 180.48 2krk h SER 24 N -0.23 0.00 -0.04 2.45 0.02 0.22 -3.08 113.55 112.89 2krk h SER 24 Ca -0.13 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2krk h SER 24 Cb 1.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.14 2krk h SER 24 CO 0.16 0.32 0.04 0.03 -1.14 0.00 0.00 176.83 176.23 2krk h ARG 25 N 0.00 0.00 -0.28 3.45 3.08 -0.05 -0.64 114.38 119.94 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 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2krk h ARG 25 CO 0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 2krk n LYS 26 N -3.89 2.13 -4.47 0.04 5.02 -1.16 -4.93 118.16 110.90 2krk n LYS 26 Ca -0.02 -1.70 -0.22 0.00 -2.02 0.00 0.00 58.31 54.34 2krk n LYS 26 Cb 0.13 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 2krk n LYS 26 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2krk s MET 27 N -1.64 1.71 -0.24 1.97 -1.94 -0.25 -5.13 119.30 113.77 2krk s MET 27 Ca 0.35 -1.96 -0.18 0.00 -1.71 0.00 0.00 55.69 52.19 2krk s MET 27 Cb 0.20 -0.88 -0.03 0.00 2.01 0.00 0.00 34.83 36.12 2krk s MET 27 CO 0.29 -0.22 0.50 -0.80 -0.01 0.00 0.00 175.02 174.78 2krk s ASN 28 N -3.52 6.46 0.33 3.03 0.01 -1.26 -4.97 114.94 115.02 2krk s ASN 28 Ca 0.34 0.55 0.04 0.00 -0.71 0.00 0.00 52.86 53.09 2krk s ASN 28 Cb 0.08 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 2krk s ASN 28 CO 0.15 -0.24 0.49 -0.76 -1.51 0.00 0.00 177.10 175.23 2krk s LEU 29 N 2.05 4.01 0.00 0.60 1.43 -1.26 0.00 118.68 125.51 2krk s LEU 29 Ca 0.21 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2krk s LEU 29 Cb -0.15 -2.96 0.11 0.00 0.03 0.00 0.00 46.19 43.22 2krk s LEU 29 CO 0.09 -0.36 0.37 1.07 0.23 0.00 0.00 176.35 177.75 2krk n THR 30 N -1.69 0.00 0.12 5.49 5.66 0.03 -4.67 114.28 119.23 2krk n THR 30 Ca -0.03 -0.15 -0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2krk n THR 30 Cb 0.57 -0.98 0.05 0.00 -1.55 0.00 0.00 70.33 68.42 2krk n THR 30 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2krk h ARG 31 N 0.00 0.00 -1.58 1.09 2.47 -1.98 -3.39 114.38 110.99 2krk h ARG 31 Ca -0.14 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.11 2krk h ARG 31 Cb 0.44 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.43 2krk h ARG 31 CO 0.09 0.63 -0.93 0.41 0.56 0.00 0.00 179.97 180.74 2krk n GLY 32 N 1.01 1.96 3.69 0.04 0.00 -1.26 -5.12 105.19 105.51 2krk n GLY 32 Ca 0.01 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.48 5.22 -0.60 -0.61 2.07 -1.26 -4.89 121.20 120.66 2krk s ILE 33 Ca 0.34 0.70 -0.13 0.00 -1.41 0.00 0.00 60.65 60.15 2krk s ILE 33 Cb 0.15 -3.72 0.15 0.00 0.13 0.00 0.00 42.46 39.18 2krk s ILE 33 CO -0.15 0.29 0.52 0.21 -1.91 0.00 0.00 174.94 173.90 2krk s ASN 34 N 0.87 6.13 0.32 4.50 3.84 -1.26 -4.91 114.94 124.43 2krk s ASN 34 Ca 0.19 -2.11 0.16 0.00 0.21 0.00 0.00 52.86 51.31 2krk s ASN 34 Cb -0.14 -2.13 0.41 0.00 -0.55 0.00 0.00 41.25 38.83 2krk s ASN 34 CO 0.07 -0.71 1.60 -0.07 -2.79 0.00 0.00 177.10 175.20 2krk h LEU 35 N 8.38 0.00 -0.61 3.21 3.38 -1.98 -3.20 115.31 124.50 2krk h LEU 35 Ca -0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2krk h LEU 35 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2krk h LEU 35 CO 0.90 0.48 0.20 -0.09 0.09 0.00 0.00 178.44 180.02 2krk h ARG 36 N 0.00 0.94 -0.90 1.13 2.43 -1.94 -0.44 114.38 115.60 2krk h ARG 36 Ca -0.00 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2krk h ARG 36 Cb 1.12 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.48 2krk h ARG 36 CO 0.06 0.83 0.58 -0.22 -1.51 0.00 0.00 179.97 179.71 2krk h LYS 37 N 0.86 0.96 -0.42 0.20 3.11 -1.98 0.74 116.57 120.03 2krk h LYS 37 Ca 0.20 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.94 2krk h LYS 37 Cb 0.28 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 2krk h LYS 37 CO -0.01 0.63 0.13 0.82 -2.81 0.00 0.00 179.45 178.21 2krk h ILE 38 N 0.98 1.22 -0.75 2.00 1.08 -1.37 -2.62 117.51 118.04 2krk h ILE 38 Ca 0.39 -0.73 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 2krk h ILE 38 Cb 0.25 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 2krk h ILE 38 CO -0.15 0.26 0.29 0.00 -0.69 0.00 0.00 178.15 177.85 2krk h ALA 39 N 0.98 1.08 0.00 1.87 0.00 -0.20 -2.37 119.26 120.61 2krk h ALA 39 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 39 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2krk h ALA 39 CO -0.00 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.82 2krk h GLU 40 N 1.10 0.00 0.00 0.00 5.08 -0.75 -1.48 114.58 118.54 2krk h GLU 40 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2krk h GLU 40 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2krk h GLU 40 CO -0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.27 2krk n LEU 41 N -3.01 0.32 -4.26 1.33 4.77 -0.89 -4.55 117.00 110.70 2krk n LEU 41 Ca -0.00 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 2krk n LEU 41 Cb 0.24 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 2krk n LEU 41 CO 0.25 -0.23 0.06 -0.04 -1.33 0.00 0.00 177.39 176.10 2krk s MET 42 N -3.09 2.73 0.22 3.23 -1.94 -0.56 -4.93 119.30 114.97 2krk s MET 42 Ca 0.09 -1.74 -0.09 0.00 -1.71 0.00 0.00 55.69 52.24 2krk s MET 42 Cb 0.13 -4.11 0.19 0.00 2.01 0.00 0.00 34.83 33.04 2krk s MET 42 CO 0.44 -1.26 1.88 -1.00 -0.01 0.00 0.00 175.02 175.07 2krk h PRO 43 N 8.67 1.01 -2.32 2.03 0.13 -1.83 -3.39 132.00 136.30 2krk h PRO 43 Ca -0.26 -0.06 -0.44 0.00 -0.87 0.00 0.00 66.00 64.37 2krk h PRO 43 Cb 1.09 -0.23 -0.35 0.00 0.13 0.00 0.00 31.00 31.64 2krk h PRO 43 CO 0.95 0.67 -0.73 0.20 -0.23 0.00 0.00 178.00 178.86 2krk s GLY 44 N -2.94 0.25 -0.24 1.56 0.00 -1.26 -5.10 107.32 99.59 2krk s GLY 44 Ca -0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 2krk s GLY 44 CO 0.78 2.43 0.37 0.00 0.00 0.00 0.00 173.10 176.68 2krk s ALA 45 N 1.76 -1.04 0.58 3.20 0.00 -1.26 -5.09 121.76 119.91 2krk s ALA 45 Ca 0.13 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.93 2krk s ALA 45 Cb -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2krk s ALA 45 CO -0.18 -1.28 0.03 -1.13 0.00 0.00 0.00 175.76 173.21 2krk n SER 46 N 5.36 0.03 -0.19 0.00 3.41 -1.26 -4.76 113.62 116.22 2krk n SER 46 Ca -0.04 -1.03 0.21 0.00 -0.26 0.00 0.00 58.87 57.76 2krk n SER 46 Cb 0.50 -0.02 0.59 0.00 -0.26 0.00 0.00 64.21 65.01 2krk n SER 46 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2krk h GLY 47 N -0.03 0.52 0.91 5.00 0.00 -1.87 -0.88 103.07 106.72 2krk h GLY 47 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2krk h GLY 47 CO 0.01 0.00 0.48 0.00 0.00 0.00 0.00 176.54 177.04 2krk h ALA 48 N 1.62 0.98 0.11 3.60 0.00 -1.98 -0.20 119.26 123.39 2krk h ALA 48 Ca 0.42 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 55.03 2krk h ALA 48 Cb 1.24 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.79 2krk h ALA 48 CO -0.11 0.30 -1.11 0.93 0.00 0.00 0.00 179.25 179.27 2krk h GLU 49 N 0.96 0.56 -0.62 0.00 4.39 -1.54 -3.22 114.58 115.11 2krk h GLU 49 Ca 0.29 -0.75 0.10 0.00 0.34 0.00 0.00 59.36 59.34 2krk h GLU 49 Cb -0.02 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2krk h GLU 49 CO -0.10 1.33 0.41 0.28 -1.16 0.00 0.00 179.01 179.78 2krk h VAL 50 N 0.14 0.90 -0.24 3.13 2.07 -1.14 -0.46 116.25 120.66 2krk h VAL 50 Ca -0.17 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.24 2krk h VAL 50 Cb 1.81 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2krk h VAL 50 CO 0.21 0.08 -0.02 0.50 0.02 0.00 0.00 177.57 178.36 2krk h LYS 51 N 0.44 0.04 -0.10 1.57 3.64 -1.04 -2.42 116.57 118.71 2krk h LYS 51 Ca 0.28 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2krk h LYS 51 Cb 0.53 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2krk h LYS 51 CO -0.08 0.03 -0.04 0.78 -2.27 0.00 0.00 179.45 177.86 2krk h GLY 52 N 0.04 0.22 0.30 5.01 0.00 -1.27 -3.12 103.07 104.26 2krk h GLY 52 Ca 0.12 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.31 2krk h GLY 52 CO -0.22 0.18 -0.16 -2.08 0.00 0.00 0.00 176.54 174.26 2krk h VAL 53 N -0.15 0.55 -1.01 4.60 2.07 -1.06 0.20 116.25 121.45 2krk h VAL 53 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2krk h VAL 53 Cb 0.49 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2krk h VAL 53 CO 0.01 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.27 2krk h THR 55 N 1.33 1.29 -0.42 0.00 2.02 -1.24 -2.56 112.91 113.32 2krk h THR 55 Ca 0.38 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 2krk h THR 55 Cb -0.09 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2krk h THR 55 CO -0.10 0.31 0.05 -0.33 0.37 0.00 0.00 175.52 175.82 2krk h GLU 56 N 0.08 0.65 -0.95 6.66 4.39 -0.37 -1.22 114.58 123.81 2krk h GLU 56 Ca 0.05 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.67 2krk h GLU 56 Cb 0.48 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 2krk h GLU 56 CO 0.02 0.63 0.61 0.00 -1.16 0.00 0.00 179.01 179.11 2krk h ALA 57 N 1.44 1.30 -0.55 3.43 0.00 -0.89 -0.34 119.26 123.64 2krk h ALA 57 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2krk h ALA 57 Cb 0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2krk h ALA 57 CO 0.01 0.42 0.33 0.78 0.00 0.00 0.00 179.25 180.79 2krk h GLY 58 N 1.14 0.79 0.91 0.00 0.00 -0.82 -1.00 103.07 104.09 2krk h GLY 58 Ca 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2krk h GLY 58 CO -0.16 0.31 0.09 -0.33 0.00 0.00 0.00 176.54 176.45 2krk h MET 59 N 0.76 0.28 -0.87 4.80 2.07 -0.46 0.16 114.93 121.67 2krk h MET 59 Ca 0.20 -0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.82 2krk h MET 59 Cb -0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 29.60 2krk h MET 59 CO -0.04 0.31 0.56 1.88 1.07 0.00 0.00 176.91 180.70 2krk h TYR 60 N 0.17 1.06 0.56 -0.22 0.05 -0.95 -1.31 116.97 116.33 2krk h TYR 60 Ca 0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 2krk h TYR 60 Cb 0.13 -0.35 0.01 0.00 1.01 0.00 0.00 36.73 37.53 2krk h TYR 60 CO -0.02 0.62 -0.27 0.00 -1.05 0.00 0.00 178.16 177.43 2krk h ALA 61 N 1.35 -0.76 -1.00 3.88 0.00 -0.96 -3.17 119.26 118.61 2krk h ALA 61 Ca 0.34 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2krk h ALA 61 Cb -0.01 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2krk h ALA 61 CO -0.11 -0.82 0.65 -0.07 0.00 0.00 0.00 179.25 178.90 2krk h LEU 62 N -0.97 1.02 -1.57 0.00 3.38 -0.57 0.37 115.31 116.97 2krk h LEU 62 Ca -0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2krk h LEU 62 Cb 0.64 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2krk h LEU 62 CO 0.13 0.63 0.08 0.08 0.09 0.00 0.00 178.44 179.45 2krk h ARG 63 N 1.15 0.36 -0.65 1.13 0.11 -1.31 -0.72 114.38 114.44 2krk h ARG 63 Ca 0.44 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2krk h ARG 63 Cb 0.22 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2krk h ARG 63 CO -0.18 0.32 0.00 0.39 0.10 0.00 0.00 179.97 180.60 2krk n GLU 64 N -4.41 3.67 -1.47 0.08 1.02 -0.49 -4.94 120.64 114.11 2krk n GLU 64 Ca 0.01 -2.88 -0.16 0.00 -0.02 0.00 0.00 57.16 54.11 2krk n GLU 64 Cb 0.14 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 29.62 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 1.15 -1.52 -2.06 3.49 3.00 -0.03 -4.93 116.66 115.76 2krk n ARG 65 Ca 0.26 1.07 -0.43 0.00 -0.01 0.00 0.00 57.85 58.74 2krk n ARG 65 Cb 0.87 -5.45 -0.03 0.00 0.00 0.00 0.00 32.46 27.86 2krk n ARG 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2krk s ARG 66 N -3.36 3.89 -0.06 5.56 0.52 0.11 -4.90 118.95 120.71 2krk s ARG 66 Ca 0.00 1.85 -0.20 0.00 -0.52 0.00 0.00 55.73 56.86 2krk s ARG 66 Cb 0.00 -4.03 -0.30 0.00 0.52 0.00 0.00 34.95 31.14 2krk s ARG 66 CO 0.00 -1.19 0.78 0.28 0.02 0.00 0.00 175.30 175.19 2krk h VAL 67 N 6.01 1.34 -3.60 3.52 2.07 -1.91 -3.38 116.25 120.29 2krk h VAL 67 Ca -0.36 -2.50 -0.61 0.00 0.82 0.00 0.00 66.70 64.05 2krk h VAL 67 Cb 1.16 3.03 -0.12 0.00 -1.52 0.00 0.00 31.29 33.84 2krk h VAL 67 CO 0.98 0.71 0.47 -1.38 0.02 0.00 0.00 177.57 178.38 2krk s HIS 68 N -2.45 2.94 0.29 1.57 0.00 -1.26 -4.26 115.29 112.12 2krk s HIS 68 Ca -0.16 0.23 -0.29 0.00 -3.00 0.00 0.00 55.06 51.85 2krk s HIS 68 Cb 0.02 -3.84 -0.10 0.00 -4.00 0.00 0.00 32.58 24.67 2krk s HIS 68 CO 0.81 -1.07 1.13 0.08 -1.00 0.00 0.00 174.74 174.69 2krk s VAL 69 N 3.55 3.37 0.42 -5.38 1.01 0.10 -4.60 120.40 118.87 2krk s VAL 69 Ca 0.33 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.76 2krk s VAL 69 Cb -0.11 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2krk s VAL 69 CO 0.24 0.32 0.25 0.42 0.00 0.00 0.00 175.10 176.33 2krk s THR 70 N -1.17 2.41 0.38 3.92 -4.23 -1.26 -0.79 115.64 114.90 2krk s THR 70 Ca 0.45 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 2krk s THR 70 Cb -0.33 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 70.82 2krk s THR 70 CO 0.43 0.00 1.95 -0.61 -0.54 0.00 0.00 174.62 175.85 2krk h GLN 71 N 1.29 0.64 -0.40 3.99 4.15 -1.93 -2.42 115.11 120.43 2krk h GLN 71 Ca -0.42 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.02 2krk h GLN 71 Cb 1.26 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.75 2krk h GLN 71 CO 0.66 0.42 0.07 1.49 -1.93 0.00 0.00 178.83 179.54 2krk h GLU 72 N 0.66 0.19 -0.79 1.69 4.81 -1.98 -1.69 114.58 117.47 2krk h GLU 72 Ca 0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2krk h GLU 72 Cb 0.40 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2krk h GLU 72 CO -0.11 0.13 0.46 -0.44 -0.73 0.00 0.00 179.01 178.31 2krk h ASP 73 N 0.20 0.95 0.04 1.04 3.32 -1.78 -1.21 116.42 118.97 2krk h ASP 73 Ca 0.20 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2krk h ASP 73 Cb 0.24 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2krk h ASP 73 CO -0.27 0.75 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.73 2krk h PHE 74 N 1.08 -0.04 -0.39 4.55 0.04 -1.40 -1.70 116.94 119.08 2krk h PHE 74 Ca 0.28 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.97 2krk h PHE 74 Cb -0.02 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2krk h PHE 74 CO -0.00 0.23 -0.09 1.05 -0.60 0.00 0.00 178.31 178.89 2krk h GLU 75 N -0.32 0.67 -0.32 1.51 4.11 -1.24 0.21 114.58 119.21 2krk h GLU 75 Ca -0.00 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.20 2krk h GLU 75 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2krk h GLU 75 CO 0.01 0.75 0.11 0.52 0.07 0.00 0.00 179.01 180.47 2krk h MET 76 N 0.62 0.46 -0.32 1.06 2.86 -1.20 -0.93 114.93 117.47 2krk h MET 76 Ca 0.11 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2krk h MET 76 Cb 0.52 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2krk h MET 76 CO 0.03 0.40 -0.11 0.00 1.06 0.00 0.00 176.91 178.29 2krk h ALA 77 N 1.67 0.45 -0.54 6.32 0.00 -0.31 -2.79 119.26 124.06 2krk h ALA 77 Ca 0.11 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2krk h ALA 77 Cb 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2krk h ALA 77 CO -0.01 0.31 0.22 0.28 0.00 0.00 0.00 179.25 180.05 2krk h VAL 78 N 0.41 0.85 -0.89 0.00 2.07 -0.31 0.20 116.25 118.59 2krk h VAL 78 Ca 0.08 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2krk h VAL 78 Cb 0.62 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2krk h VAL 78 CO 0.04 0.08 0.58 0.00 0.02 0.00 0.00 177.57 178.28 2krk h ALA 79 N 1.35 1.50 -0.01 1.67 0.00 -1.20 0.20 119.26 122.77 2krk h ALA 79 Ca 0.26 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2krk h ALA 79 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2krk h ALA 79 CO -0.24 0.38 -0.80 -0.22 0.00 0.00 0.00 179.25 178.37 2krk h LYS 80 N 1.03 0.17 0.01 0.00 3.64 -0.95 -1.86 116.57 118.61 2krk h LYS 80 Ca 0.37 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.44 2krk h LYS 80 Cb 0.15 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2krk h LYS 80 CO -0.13 0.88 -0.81 0.28 -2.27 0.00 0.00 179.45 177.40 2krk h VAL 81 N 0.10 1.25 0.10 2.00 2.07 -0.16 -3.39 116.25 118.22 2krk h VAL 81 Ca -0.03 -2.26 -0.27 0.00 0.82 0.00 0.00 66.70 64.96 2krk h VAL 81 Cb 1.40 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 2krk h VAL 81 CO 0.12 0.45 -1.32 0.24 0.02 0.00 0.00 177.57 177.08 2krk h MET 82 N -0.94 0.20 0.00 1.57 2.86 -0.78 -3.47 114.93 114.37 2krk h MET 82 Ca -0.22 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2krk h MET 82 Cb 1.23 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2krk h MET 82 CO -0.11 1.11 0.00 1.04 1.06 0.00 0.00 176.91 180.01 2krk n GLN 83 N -3.45 -1.80 -3.68 1.72 6.02 -0.70 -4.89 117.38 110.60 2krk n GLN 83 Ca -0.10 0.35 -0.23 0.00 -0.01 0.00 0.00 57.00 57.02 2krk n GLN 83 Cb 1.02 -4.39 -0.18 0.00 1.02 0.00 0.00 30.24 27.71 2krk n GLN 83 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2krk s LYS 84 N -1.49 0.15 0.21 -1.09 -0.14 -1.26 -5.08 119.74 111.04 2krk s LYS 84 Ca 0.00 0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 54.45 2krk s LYS 84 Cb 0.00 -1.07 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 2krk s LYS 84 CO 0.00 -0.44 1.01 0.16 -0.76 0.00 0.00 175.35 175.32 2krk s ASP 85 N 2.10 7.47 0.00 2.83 1.47 -1.26 -4.99 116.67 124.28 2krk s ASP 85 Ca 0.04 2.01 0.00 0.00 1.18 0.00 0.00 52.55 55.78 2krk s ASP 85 Cb -0.13 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.84 2krk s ASP 85 CO -0.05 -0.02 0.00 -1.20 0.68 0.00 0.00 175.17 174.58