#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 3.34 2.09 3.17 0.00 -1.26 -4.97 105.19 107.57 2krk n GLY 2 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.33 0.29 -2.90 1.61 -0.00 -1.26 -4.41 115.22 107.21 2krk n HIS 3 Ca 0.00 -1.54 -0.08 0.00 -0.00 0.00 0.00 57.72 56.10 2krk n HIS 3 Cb 0.00 -1.59 -0.01 0.00 -0.00 0.00 0.00 29.99 28.39 2krk n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2krk s HIS 4 N 1.37 -1.16 0.13 4.41 0.00 -1.26 -5.14 115.29 113.64 2krk s HIS 4 Ca 0.60 -0.82 -0.09 0.00 -3.00 0.00 0.00 55.06 51.76 2krk s HIS 4 Cb 0.27 0.10 -0.06 0.00 -4.00 0.00 0.00 32.58 28.89 2krk s HIS 4 CO -0.01 -1.19 0.43 -1.01 -1.00 0.00 0.00 174.74 171.96 2krk s HIS 5 N 0.80 3.52 0.16 0.38 4.02 -1.26 -5.11 115.29 117.80 2krk s HIS 5 Ca 0.30 0.76 0.09 0.00 1.02 0.00 0.00 55.06 57.22 2krk s HIS 5 Cb 0.00 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.58 29.37 2krk s HIS 5 CO -0.07 0.44 -0.12 -3.38 1.02 0.00 0.00 174.74 172.62 2krk s HIS 6 N -1.56 2.60 0.47 1.40 0.00 -1.26 -5.10 115.29 111.84 2krk s HIS 6 Ca 0.39 -0.23 -0.22 0.00 -3.00 0.00 0.00 55.06 51.99 2krk s HIS 6 Cb -0.13 -1.30 -0.09 0.00 -4.00 0.00 0.00 32.58 27.06 2krk s HIS 6 CO 0.21 0.48 0.95 -2.39 -1.00 0.00 0.00 174.74 172.98 2krk n HIS 7 N 0.27 0.90 -3.68 0.38 -0.00 -1.26 -5.00 115.22 106.83 2krk n HIS 7 Ca -0.12 0.52 -0.39 0.00 -0.00 0.00 0.00 57.72 57.73 2krk n HIS 7 Cb 0.55 -2.18 -0.12 0.00 -0.00 0.00 0.00 29.99 28.24 2krk n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2krk s HIS 8 N -1.37 3.25 -0.39 -1.40 4.02 -1.26 -5.07 115.29 113.07 2krk s HIS 8 Ca 0.66 -1.22 -0.29 0.00 1.02 0.00 0.00 55.06 55.23 2krk s HIS 8 Cb -0.52 -2.37 0.01 0.00 -1.02 0.00 0.00 32.58 28.69 2krk s HIS 8 CO 0.55 -0.70 1.35 0.45 1.02 0.00 0.00 174.74 177.41 2krk s SER 9 N 1.48 6.45 -0.75 1.40 0.15 -1.26 -3.81 113.70 117.37 2krk s SER 9 Ca 0.00 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.52 2krk s SER 9 Cb -0.19 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2krk s SER 9 CO 0.05 -1.33 0.67 1.41 1.20 0.00 0.00 173.24 175.24 2krk n HIS 10 N 8.41 -2.74 -1.68 3.44 -0.00 -1.26 -4.84 115.22 116.55 2krk n HIS 10 Ca 0.16 1.06 -0.45 0.00 -0.00 0.00 0.00 57.72 58.49 2krk n HIS 10 Cb 0.48 -3.73 -0.04 0.00 -0.00 0.00 0.00 29.99 26.70 2krk n HIS 10 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2krk n PRO 11 N -1.95 2.47 -0.36 -0.41 -0.04 -1.25 -4.94 135.00 128.52 2krk n PRO 11 Ca -0.09 0.90 -0.30 0.00 -0.04 0.00 0.00 63.50 63.97 2krk n PRO 11 Cb 0.55 -2.74 0.28 0.00 -0.04 0.00 0.00 33.50 31.56 2krk n PRO 11 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2krk s ASN 12 N 2.30 -0.59 0.09 3.54 -0.87 -1.26 -4.36 114.94 113.79 2krk s ASN 12 Ca 0.83 1.12 -0.34 0.00 -1.57 0.00 0.00 52.86 52.89 2krk s ASN 12 Cb -0.59 -1.66 -0.15 0.00 -0.02 0.00 0.00 41.25 38.83 2krk s ASN 12 CO 0.40 -5.11 1.58 -0.08 -2.57 0.00 0.00 177.10 171.32 2krk h GLU 13 N -3.25 -0.88 0.00 -0.60 4.81 -1.93 0.88 114.58 113.61 2krk h GLU 13 Ca -0.51 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2krk h GLU 13 Cb 1.34 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 2krk h GLU 13 CO 0.36 -0.58 -0.07 0.93 -0.73 0.00 0.00 179.01 178.92 2krk h GLU 14 N -0.91 0.00 0.02 1.92 4.39 -1.98 0.43 114.58 118.46 2krk h GLU 14 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2krk h GLU 14 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2krk h GLU 14 CO -0.08 0.07 -0.01 0.00 -1.16 0.00 0.00 179.01 177.82 2krk h ALA 15 N 1.93 -0.03 -0.12 3.43 0.00 -1.61 -1.39 119.26 121.48 2krk h ALA 15 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2krk h ALA 15 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2krk h ALA 15 CO 0.01 -0.24 -0.54 0.07 0.00 0.00 0.00 179.25 178.55 2krk h ARG 16 N -0.58 0.35 -0.78 0.00 0.11 -0.72 -2.95 114.38 109.81 2krk h ARG 16 Ca -0.00 -0.22 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 2krk h ARG 16 Cb 0.55 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.62 2krk h ARG 16 CO 0.00 0.80 0.34 1.25 0.10 0.00 0.00 179.97 182.46 2krk h LEU 17 N 0.27 1.05 -0.49 0.08 5.85 -0.95 -1.37 115.31 119.74 2krk h LEU 17 Ca 0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2krk h LEU 17 Cb 1.04 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2krk h LEU 17 CO 0.09 0.91 0.22 -0.78 -0.34 0.00 0.00 178.44 178.55 2krk h ASP 18 N 1.11 0.30 -0.14 1.25 3.58 -1.13 -0.57 116.42 120.82 2krk h ASP 18 Ca 0.26 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.78 2krk h ASP 18 Cb 0.17 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2krk h ASP 18 CO -0.03 0.21 -0.02 0.40 -2.88 0.00 0.00 179.24 176.92 2krk h ILE 19 N 0.44 0.87 -0.52 2.25 2.04 -1.30 -2.26 117.51 119.04 2krk h ILE 19 Ca 0.22 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.15 2krk h ILE 19 Cb 0.16 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2krk h ILE 19 CO -0.18 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.07 2krk h LEU 20 N 0.01 0.15 -1.53 1.44 3.38 -0.85 -1.38 115.31 116.53 2krk h LEU 20 Ca 0.07 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2krk h LEU 20 Cb 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2krk h LEU 20 CO -0.13 0.11 0.39 0.11 0.09 0.00 0.00 178.44 179.00 2krk h LYS 21 N 0.34 0.57 -0.03 1.13 1.57 -0.81 0.32 116.57 119.66 2krk h LYS 21 Ca 0.25 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 2krk h LYS 21 Cb 0.30 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2krk h LYS 21 CO -0.27 0.38 -0.77 0.82 -0.57 0.00 0.00 179.45 179.03 2krk h ILE 22 N 0.59 1.35 0.17 1.86 2.04 -0.71 -3.25 117.51 119.56 2krk h ILE 22 Ca 0.25 -2.09 -0.28 0.00 1.00 0.00 0.00 64.86 63.73 2krk h ILE 22 Cb 0.22 2.39 0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2krk h ILE 22 CO -0.07 0.63 -1.35 0.45 0.00 0.00 0.00 178.15 177.81 2krk h HIS 23 N 0.19 0.66 0.00 1.37 3.86 -1.11 -3.36 115.15 116.76 2krk h HIS 23 Ca -0.09 -0.48 -0.05 0.00 -1.16 0.00 0.00 60.37 58.60 2krk h HIS 23 Cb 1.44 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 2krk h HIS 23 CO 0.12 1.52 -0.22 0.66 0.86 0.00 0.00 177.93 180.87 2krk h SER 24 N -0.13 0.00 0.22 2.45 4.64 -1.10 -2.35 113.55 117.29 2krk h SER 24 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2krk h SER 24 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2krk h SER 24 CO 0.16 0.22 0.00 -2.11 -0.87 0.00 0.00 176.83 174.23 2krk n ARG 25 N -3.97 0.03 0.00 4.77 1.85 -1.23 -0.97 116.66 117.14 2krk n ARG 25 Ca -0.02 0.33 0.14 0.00 -1.00 0.00 0.00 57.85 57.31 2krk n ARG 25 Cb 0.30 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 30.79 2krk n ARG 25 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2krk n LYS 26 N -1.44 1.49 -4.42 2.89 4.76 -0.88 -4.91 118.16 115.65 2krk n LYS 26 Ca 0.02 -0.77 -0.21 0.00 -2.87 0.00 0.00 58.31 54.48 2krk n LYS 26 Cb 0.08 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 31.68 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 -2.04 1.53 -0.87 1.97 -1.94 -0.15 -5.08 119.30 112.72 2krk s MET 27 Ca 0.39 -1.71 -0.25 0.00 -1.71 0.00 0.00 55.69 52.40 2krk s MET 27 Cb 0.21 -1.41 0.03 0.00 2.01 0.00 0.00 34.83 35.67 2krk s MET 27 CO 0.35 0.21 1.47 -0.80 -0.01 0.00 0.00 175.02 176.25 2krk s ASN 28 N -3.43 6.13 0.38 3.03 0.01 -1.26 -5.00 114.94 114.80 2krk s ASN 28 Ca 0.27 -0.84 -0.18 0.00 -0.71 0.00 0.00 52.86 51.40 2krk s ASN 28 Cb -0.01 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 2krk s ASN 28 CO 0.11 -1.83 0.84 -0.76 -1.51 0.00 0.00 177.10 173.95 2krk s LEU 29 N 6.13 4.00 0.54 0.60 1.43 -1.26 -0.33 118.68 129.79 2krk s LEU 29 Ca 0.46 1.47 -0.21 0.00 -1.03 0.00 0.00 54.13 54.82 2krk s LEU 29 Cb -0.05 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 2krk s LEU 29 CO 0.03 -0.29 1.24 0.28 0.23 0.00 0.00 176.35 177.85 2krk s THR 30 N -2.09 2.57 -0.23 5.49 -1.32 -0.12 -4.76 115.64 115.18 2krk s THR 30 Ca 0.58 0.40 0.27 0.00 -1.21 0.00 0.00 61.69 61.72 2krk s THR 30 Cb -0.10 -3.19 0.28 0.00 -1.51 0.00 0.00 72.50 67.99 2krk s THR 30 CO 0.16 -0.04 1.80 0.08 -2.21 0.00 0.00 174.62 174.41 2krk h ARG 31 N 1.37 0.00 -3.18 7.08 -0.00 -1.96 -3.32 114.38 114.36 2krk h ARG 31 Ca -0.50 0.00 -0.64 0.00 -0.00 0.00 0.00 59.98 58.84 2krk h ARG 31 Cb 1.29 0.00 -0.41 0.00 -0.00 0.00 0.00 29.97 30.85 2krk h ARG 31 CO 0.57 0.00 -0.52 0.20 -0.00 0.00 0.00 179.97 180.22 2krk s GLY 32 N -3.71 2.86 -0.00 0.08 0.00 -1.26 -5.07 107.32 100.21 2krk s GLY 32 Ca 0.02 -3.72 0.02 0.00 0.00 0.00 0.00 44.72 41.03 2krk s GLY 32 CO 0.38 1.08 -0.06 -1.50 0.00 0.00 0.00 173.10 173.00 2krk s ILE 33 N -1.19 0.44 -0.38 0.90 2.07 -1.25 -4.68 121.20 117.11 2krk s ILE 33 Ca 0.23 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.23 2krk s ILE 33 Cb -0.09 -0.38 0.11 0.00 0.13 0.00 0.00 42.46 42.23 2krk s ILE 33 CO -0.13 0.11 0.13 0.21 -1.91 0.00 0.00 174.94 173.35 2krk s ASN 34 N -0.18 4.31 0.50 4.50 2.47 -1.26 -4.97 114.94 120.31 2krk s ASN 34 Ca 0.02 -2.26 0.24 0.00 0.42 0.00 0.00 52.86 51.27 2krk s ASN 34 Cb -0.02 -1.34 1.34 0.00 -1.45 0.00 0.00 41.25 39.77 2krk s ASN 34 CO -0.00 -0.34 2.05 -0.07 -3.72 0.00 0.00 177.10 175.02 2krk h LEU 35 N 7.38 0.00 -0.51 3.21 3.38 -1.99 -2.91 115.31 123.87 2krk h LEU 35 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2krk h LEU 35 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2krk h LEU 35 CO 0.53 0.14 0.07 -0.09 0.09 0.00 0.00 178.44 179.18 2krk h ARG 36 N 0.00 0.85 -0.96 1.13 2.43 -1.96 -0.37 114.38 115.50 2krk h ARG 36 Ca -0.00 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2krk h ARG 36 Cb 0.33 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 2krk h ARG 36 CO 0.02 0.85 0.63 -0.22 -1.51 0.00 0.00 179.97 179.73 2krk h LYS 37 N 0.73 1.16 -0.56 0.20 3.11 -1.95 -0.15 116.57 119.11 2krk h LYS 37 Ca 0.15 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.88 2krk h LYS 37 Cb 0.42 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2krk h LYS 37 CO 0.01 0.77 0.17 0.82 -2.81 0.00 0.00 179.45 178.41 2krk h ILE 38 N 1.20 1.24 -0.63 2.00 1.08 -1.51 -2.84 117.51 118.05 2krk h ILE 38 Ca 0.39 -0.82 0.01 0.00 -0.39 0.00 0.00 64.86 64.05 2krk h ILE 38 Cb 0.04 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2krk h ILE 38 CO -0.13 0.30 0.42 0.00 -0.69 0.00 0.00 178.15 178.05 2krk h ALA 39 N 1.04 1.54 0.00 1.87 0.00 0.12 -1.29 119.26 122.54 2krk h ALA 39 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2krk h ALA 39 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2krk h ALA 39 CO -0.00 0.42 -0.26 0.93 0.00 0.00 0.00 179.25 180.34 2krk h GLU 40 N 0.86 0.00 -0.00 0.00 5.08 -0.89 -2.55 114.58 117.09 2krk h GLU 40 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2krk h GLU 40 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2krk h GLU 40 CO -0.05 0.26 -0.01 1.28 -1.00 0.00 0.00 179.01 179.50 2krk n LEU 41 N -3.69 0.06 -3.74 1.33 4.77 -0.49 -4.32 117.00 110.93 2krk n LEU 41 Ca -0.01 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2krk n LEU 41 Cb 0.38 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2krk n LEU 41 CO 0.34 0.01 0.08 0.23 -1.33 0.00 0.00 177.39 176.72 2krk n MET 42 N -1.07 2.25 -2.63 3.23 2.81 -0.96 -4.99 117.12 115.76 2krk n MET 42 Ca 0.20 -4.57 -0.43 0.00 -1.81 0.00 0.00 57.70 51.09 2krk n MET 42 Cb 0.17 -2.30 -0.02 0.00 -0.71 0.00 0.00 33.22 30.36 2krk n MET 42 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2krk s PRO 43 N -1.90 3.62 -0.20 0.03 0.04 -1.26 -4.02 135.00 131.31 2krk s PRO 43 Ca 0.31 0.39 -0.00 0.00 0.04 0.00 0.00 61.00 61.74 2krk s PRO 43 Cb 0.03 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.63 2krk s PRO 43 CO -0.10 -1.45 0.17 0.41 0.04 0.00 0.00 177.00 176.07 2krk n GLY 44 N 4.93 0.33 3.37 0.56 0.00 -1.26 -5.07 105.19 108.05 2krk n GLY 44 Ca 0.10 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.06 2.52 1.00 4.61 0.00 -1.26 -4.97 121.76 120.60 2krk s ALA 45 Ca 0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 2krk s ALA 45 Cb -0.00 -1.02 0.19 0.00 0.00 0.00 0.00 23.12 22.30 2krk s ALA 45 CO 0.12 0.37 1.14 -1.54 0.00 0.00 0.00 175.76 175.85 2krk s SER 46 N -0.05 2.65 0.44 0.00 1.04 -1.26 -4.26 113.70 112.27 2krk s SER 46 Ca -0.04 0.86 0.12 0.00 0.48 0.00 0.00 55.95 57.37 2krk s SER 46 Cb -0.14 -1.33 1.01 0.00 0.10 0.00 0.00 66.02 65.65 2krk s SER 46 CO 0.04 -3.07 2.04 1.23 0.98 0.00 0.00 173.24 174.46 2krk h GLY 47 N -1.86 0.47 1.44 7.32 0.00 -2.00 -0.97 103.07 107.48 2krk h GLY 47 Ca -0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 2krk h GLY 47 CO 0.52 0.13 -0.03 0.00 0.00 0.00 0.00 176.54 177.17 2krk h ALA 48 N 1.76 1.18 -0.19 3.60 0.00 -1.98 0.49 119.26 124.13 2krk h ALA 48 Ca 0.18 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2krk h ALA 48 Cb 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2krk h ALA 48 CO -0.04 0.53 -0.32 0.93 0.00 0.00 0.00 179.25 180.35 2krk h GLU 49 N 0.64 0.54 -0.83 0.00 4.39 -1.56 -1.00 114.58 116.76 2krk h GLU 49 Ca 0.13 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2krk h GLU 49 Cb 0.44 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2krk h GLU 49 CO 0.02 0.94 0.53 0.28 -1.16 0.00 0.00 179.01 179.62 2krk h VAL 50 N 0.20 1.22 -0.66 3.13 2.07 -1.16 -1.74 116.25 119.32 2krk h VAL 50 Ca 0.01 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2krk h VAL 50 Cb 0.91 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2krk h VAL 50 CO 0.07 0.22 0.32 0.50 0.02 0.00 0.00 177.57 178.70 2krk h LYS 51 N 1.14 0.93 -0.06 1.57 3.64 -0.84 -2.58 116.57 120.37 2krk h LYS 51 Ca 0.30 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2krk h LYS 51 Cb -0.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2krk h LYS 51 CO -0.06 0.72 0.04 0.78 -2.27 0.00 0.00 179.45 178.66 2krk h GLY 52 N 1.01 0.08 0.54 5.01 0.00 -0.35 -0.27 103.07 109.09 2krk h GLY 52 Ca 0.23 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.60 2krk h GLY 52 CO -0.03 0.03 0.28 -2.08 0.00 0.00 0.00 176.54 174.74 2krk h VAL 53 N 0.07 0.87 -0.35 4.60 2.07 -1.19 0.19 116.25 122.50 2krk h VAL 53 Ca 0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2krk h VAL 53 Cb 0.01 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2krk h VAL 53 CO -0.00 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.84 2krk h THR 55 N 0.43 1.18 -0.22 0.00 2.02 -0.53 -3.10 112.91 112.69 2krk h THR 55 Ca 0.12 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.61 2krk h THR 55 Cb 0.13 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2krk h THR 55 CO -0.01 0.19 -0.42 -0.33 0.37 0.00 0.00 175.52 175.32 2krk h GLU 56 N 0.37 0.52 -0.60 6.66 4.39 -0.94 -3.16 114.58 121.82 2krk h GLU 56 Ca 0.11 -0.27 0.12 0.00 0.34 0.00 0.00 59.36 59.66 2krk h GLU 56 Cb 0.18 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.75 2krk h GLU 56 CO -0.01 0.84 0.11 0.00 -1.16 0.00 0.00 179.01 178.80 2krk h ALA 57 N 1.12 0.70 -0.36 3.43 0.00 -1.16 0.94 119.26 123.92 2krk h ALA 57 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2krk h ALA 57 Cb 0.91 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2krk h ALA 57 CO 0.08 -0.32 0.07 0.78 0.00 0.00 0.00 179.25 179.85 2krk h GLY 58 N 0.24 0.58 1.10 0.00 0.00 -1.57 -2.90 103.07 100.52 2krk h GLY 58 Ca 0.32 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2krk h GLY 58 CO -0.42 0.29 -0.13 -0.33 0.00 0.00 0.00 176.54 175.95 2krk h MET 59 N 0.53 1.03 -0.31 4.80 2.07 -0.88 -1.85 114.93 120.33 2krk h MET 59 Ca 0.12 -0.40 0.00 0.00 -2.07 0.00 0.00 59.70 57.36 2krk h MET 59 Cb 0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.89 2krk h MET 59 CO -0.00 1.09 0.21 1.88 1.07 0.00 0.00 176.91 181.15 2krk h TYR 60 N 0.91 0.39 0.13 -0.22 0.05 -0.87 -0.46 116.97 116.90 2krk h TYR 60 Ca 0.14 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2krk h TYR 60 Cb 0.70 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2krk h TYR 60 CO 0.05 0.24 -0.06 0.00 -1.05 0.00 0.00 178.16 177.34 2krk h ALA 61 N 1.81 -0.18 -0.64 3.88 0.00 -1.36 -3.31 119.26 119.46 2krk h ALA 61 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2krk h ALA 61 Cb -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2krk h ALA 61 CO -0.03 -0.30 0.26 -0.07 0.00 0.00 0.00 179.25 179.11 2krk h LEU 62 N -0.78 0.85 -2.25 0.00 3.38 -1.08 0.54 115.31 115.97 2krk h LEU 62 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2krk h LEU 62 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2krk h LEU 62 CO 0.03 0.76 -0.05 0.08 0.09 0.00 0.00 178.44 179.35 2krk h ARG 63 N 0.92 0.00 -0.52 1.13 0.11 -1.22 0.50 114.38 115.30 2krk h ARG 63 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 2krk h ARG 63 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2krk h ARG 63 CO -0.02 0.05 0.00 0.39 0.10 0.00 0.00 179.97 180.49 2krk n GLU 64 N -3.76 3.34 -2.25 0.08 1.02 -0.79 -4.96 120.64 113.32 2krk n GLU 64 Ca -0.03 -2.68 -0.20 0.00 -0.02 0.00 0.00 57.16 54.24 2krk n GLU 64 Cb 0.14 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.76 -1.70 -1.57 3.49 5.12 0.17 -4.98 116.66 117.95 2krk n ARG 65 Ca 0.22 1.00 -0.30 0.00 -1.93 0.00 0.00 57.85 56.84 2krk n ARG 65 Cb 0.76 -5.60 0.10 0.00 -1.16 0.00 0.00 32.46 26.56 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 -4.78 1.86 -0.12 5.56 0.52 0.11 -4.97 118.95 117.13 2krk s ARG 66 Ca 0.00 0.52 0.16 0.00 -0.52 0.00 0.00 55.73 55.89 2krk s ARG 66 Cb 0.00 -1.90 -0.23 0.00 0.52 0.00 0.00 34.95 33.34 2krk s ARG 66 CO 0.00 -1.75 0.17 0.28 0.02 0.00 0.00 175.30 174.02 2krk n VAL 67 N -3.50 0.74 -4.43 3.52 0.31 -1.26 -4.56 118.33 109.15 2krk n VAL 67 Ca 0.07 -0.60 -0.22 0.00 -0.01 0.00 0.00 64.34 63.58 2krk n VAL 67 Cb 0.57 -0.33 -0.10 0.00 -0.91 0.00 0.00 33.84 33.07 2krk n VAL 67 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2krk s HIS 68 N -2.69 2.10 -0.09 3.52 3.76 -1.26 -4.60 115.29 116.02 2krk s HIS 68 Ca -0.08 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2krk s HIS 68 Cb 0.07 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 2krk s HIS 68 CO 0.70 0.60 -0.01 0.08 -0.85 0.00 0.00 174.74 175.26 2krk s VAL 69 N -2.67 4.21 0.31 -0.90 1.01 0.55 -4.78 120.40 118.13 2krk s VAL 69 Ca 0.27 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2krk s VAL 69 Cb -0.04 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2krk s VAL 69 CO 0.12 0.59 0.38 0.42 0.00 0.00 0.00 175.10 176.61 2krk s THR 70 N -0.76 4.25 0.44 3.92 -4.23 -1.26 -0.95 115.64 117.05 2krk s THR 70 Ca 0.12 -1.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.63 2krk s THR 70 Cb -0.11 -3.46 0.19 0.00 1.34 0.00 0.00 72.50 70.46 2krk s THR 70 CO 0.02 -0.22 1.99 -0.61 -0.54 0.00 0.00 174.62 175.26 2krk h GLN 71 N 1.10 0.07 -0.69 3.99 4.15 -1.96 -2.26 115.11 119.51 2krk h GLN 71 Ca -0.47 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.94 2krk h GLN 71 Cb 1.25 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 2krk h GLN 71 CO 0.57 0.21 0.46 0.93 -1.93 0.00 0.00 178.83 179.07 2krk h GLU 72 N 0.07 0.91 -0.65 1.69 5.08 -1.96 -2.52 114.58 117.19 2krk h GLU 72 Ca 0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2krk h GLU 72 Cb 0.29 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2krk h GLU 72 CO 0.02 0.60 0.08 -0.44 -1.00 0.00 0.00 179.01 178.27 2krk h ASP 73 N 0.93 1.06 0.10 1.42 3.32 -1.78 -0.47 116.42 121.00 2krk h ASP 73 Ca 0.26 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2krk h ASP 73 Cb -0.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.17 2krk h ASP 73 CO -0.06 1.06 -0.05 -0.26 -1.72 0.00 0.00 179.24 178.22 2krk h PHE 74 N 1.02 -0.13 -0.09 4.55 -1.00 -1.49 0.97 116.94 120.77 2krk h PHE 74 Ca 0.20 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.87 2krk h PHE 74 Cb 0.47 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2krk h PHE 74 CO 0.03 -0.07 -0.40 1.05 -1.61 0.00 0.00 178.31 177.31 2krk h GLU 75 N -0.15 0.19 -0.35 1.51 4.11 -1.42 -0.26 114.58 118.21 2krk h GLU 75 Ca -0.01 -0.09 -0.05 0.00 0.07 0.00 0.00 59.36 59.28 2krk h GLU 75 Cb 0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2krk h GLU 75 CO 0.02 0.57 0.03 0.52 0.07 0.00 0.00 179.01 180.22 2krk h MET 76 N 0.16 0.54 -0.15 1.06 2.86 -0.89 -1.07 114.93 117.45 2krk h MET 76 Ca 0.01 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2krk h MET 76 Cb 0.79 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2krk h MET 76 CO 0.06 0.55 0.01 0.00 1.06 0.00 0.00 176.91 178.59 2krk h ALA 77 N 1.51 0.20 -0.63 6.32 0.00 0.12 -2.67 119.26 124.10 2krk h ALA 77 Ca 0.12 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2krk h ALA 77 Cb 0.29 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2krk h ALA 77 CO 0.01 -0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.67 2krk h VAL 78 N 0.02 0.78 -0.43 0.00 2.07 -0.80 0.28 116.25 118.17 2krk h VAL 78 Ca 0.04 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2krk h VAL 78 Cb 0.34 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2krk h VAL 78 CO 0.01 0.08 0.29 0.00 0.02 0.00 0.00 177.57 177.96 2krk h ALA 79 N 1.43 1.92 0.00 1.67 0.00 -1.16 -0.01 119.26 123.11 2krk h ALA 79 Ca 0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2krk h ALA 79 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2krk h ALA 79 CO -0.30 0.01 -0.81 -0.22 0.00 0.00 0.00 179.25 177.92 2krk h LYS 80 N 0.38 0.00 0.07 0.00 3.64 -0.65 -1.51 116.57 118.50 2krk h LYS 80 Ca 0.18 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2krk h LYS 80 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2krk h LYS 80 CO -0.04 0.30 -0.03 0.28 -2.27 0.00 0.00 179.45 177.68 2krk h VAL 81 N 0.00 0.64 0.04 2.00 2.07 0.42 -3.38 116.25 118.04 2krk h VAL 81 Ca -0.05 -1.34 -0.25 0.00 0.82 0.00 0.00 66.70 65.88 2krk h VAL 81 Cb 1.34 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2krk h VAL 81 CO 0.04 0.20 -1.24 0.24 0.02 0.00 0.00 177.57 176.83 2krk h MET 82 N -0.98 0.09 -5.28 1.57 2.86 -1.21 -3.49 114.93 108.49 2krk h MET 82 Ca -0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2krk h MET 82 Cb 0.41 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2krk h MET 82 CO 0.02 0.98 -0.05 1.04 1.06 0.00 0.00 176.91 179.96 2krk n GLN 83 N -3.36 -1.38 -0.68 1.72 6.02 -0.57 -4.92 117.38 114.22 2krk n GLN 83 Ca -0.07 1.53 -0.06 0.00 -0.01 0.00 0.00 57.00 58.39 2krk n GLN 83 Cb 0.99 -5.61 0.18 0.00 1.02 0.00 0.00 30.24 26.82 2krk n GLN 83 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2krk n LYS 84 N -1.60 2.58 -1.63 -1.09 4.76 -1.26 -4.94 118.16 114.98 2krk n LYS 84 Ca 0.01 -1.95 -0.38 0.00 -2.87 0.00 0.00 58.31 53.12 2krk n LYS 84 Cb 0.49 -1.86 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 2krk n LYS 84 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2krk s ASP 85 N -0.47 4.73 0.00 4.39 2.15 -1.26 -5.21 116.67 121.00 2krk s ASP 85 Ca 0.35 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.48 2krk s ASP 85 Cb 0.29 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2krk s ASP 85 CO 0.08 -2.65 0.00 -1.20 -0.17 0.00 0.00 175.17 171.24