#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 s LYS 2 N 0.00 0.52 0.34 0.03 2.20 -1.26 -5.08 119.74 116.49 2kr1 s LYS 2 Ca 0.00 0.49 0.09 0.00 -0.36 0.00 0.00 55.97 56.19 2kr1 s LYS 2 Cb 0.00 0.25 0.61 0.00 -1.51 0.00 0.00 37.83 37.18 2kr1 s LYS 2 CO 0.00 -0.08 1.79 0.00 -0.36 0.00 0.00 175.35 176.70 2kr1 h ARG 3 N 5.26 0.17 -0.08 4.03 -0.00 -2.05 0.12 114.38 121.82 2kr1 h ARG 3 Ca -0.27 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.13 2kr1 h ARG 3 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.14 2kr1 h ARG 3 CO 0.26 0.49 0.01 0.00 0.00 0.00 0.00 179.97 180.73 2kr1 h ALA 4 N 1.51 0.11 -0.05 0.04 0.00 -1.99 -1.62 119.26 117.26 2kr1 h ALA 4 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2kr1 h ALA 4 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kr1 h ALA 4 CO 0.05 -0.24 -0.37 0.00 0.00 0.00 0.00 179.25 178.69 2kr1 h ALA 5 N 0.77 1.29 -0.05 0.00 0.00 -1.86 -2.11 119.26 117.30 2kr1 h ALA 5 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kr1 h ALA 5 Cb 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kr1 h ALA 5 CO 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.76 2kr1 h ALA 6 N 1.53 0.06 0.04 0.00 0.00 -0.71 -1.21 119.26 118.98 2kr1 h ALA 6 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kr1 h ALA 6 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kr1 h ALA 6 CO 0.05 -0.26 -0.15 -0.22 0.00 0.00 0.00 179.25 178.67 2kr1 h LYS 7 N -0.22 -0.26 -0.46 0.00 1.63 -1.21 -1.34 116.57 114.71 2kr1 h LYS 7 Ca 0.01 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2kr1 h LYS 7 Cb 0.35 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 2kr1 h LYS 7 CO 0.00 -0.17 0.24 0.45 -3.45 0.00 0.00 179.45 176.52 2kr1 h HIS 8 N -0.27 0.44 -0.42 1.91 3.86 -1.37 -1.28 115.15 118.02 2kr1 h HIS 8 Ca 0.04 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 2kr1 h HIS 8 Cb 0.31 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2kr1 h HIS 8 CO -0.19 0.23 -0.27 -0.07 0.86 0.00 0.00 177.93 178.49 2kr1 h LEU 9 N 0.47 0.92 -0.86 2.43 -0.00 -1.08 0.57 115.31 117.77 2kr1 h LEU 9 Ca 0.19 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 2kr1 h LEU 9 Cb 0.09 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 2kr1 h LEU 9 CO -0.13 1.13 0.31 0.40 -0.00 0.00 0.00 178.44 180.15 2kr1 h ILE 10 N 0.76 1.26 -0.37 1.22 2.04 -1.05 -1.29 117.51 120.08 2kr1 h ILE 10 Ca 0.09 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 2kr1 h ILE 10 Cb 0.83 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2kr1 h ILE 10 CO 0.07 0.33 -0.07 -0.33 0.00 0.00 0.00 178.15 178.15 2kr1 h GLU 11 N 1.12 0.62 -0.16 2.37 4.39 -0.90 -0.71 114.58 121.30 2kr1 h GLU 11 Ca 0.26 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2kr1 h GLU 11 Cb 0.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2kr1 h GLU 11 CO -0.02 0.69 -0.01 0.00 -1.16 0.00 0.00 179.01 178.51 2kr1 h ARG 12 N 0.57 0.29 -0.04 2.33 2.47 -0.30 -1.21 114.38 118.49 2kr1 h ARG 12 Ca 0.11 -0.10 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 2kr1 h ARG 12 Cb 0.47 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2kr1 h ARG 12 CO 0.02 0.53 -0.75 1.88 0.56 0.00 0.00 179.97 182.21 2kr1 h TYR 13 N 0.02 0.38 -0.12 3.04 0.05 -1.23 -1.59 116.97 117.52 2kr1 h TYR 13 Ca 0.04 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 2kr1 h TYR 13 Cb 0.40 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 2kr1 h TYR 13 CO 0.04 0.93 -0.07 -0.92 -1.05 0.00 0.00 178.16 177.08 2kr1 h TYR 14 N 0.18 0.31 -0.21 4.88 3.20 -1.14 -2.59 116.97 121.60 2kr1 h TYR 14 Ca -0.03 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 2kr1 h TYR 14 Cb 1.33 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2kr1 h TYR 14 CO 0.03 0.63 -0.22 1.25 -1.64 0.00 0.00 178.16 178.21 2kr1 h HIS 15 N -0.09 0.42 -0.41 -3.82 2.76 -1.26 -1.11 115.15 111.64 2kr1 h HIS 15 Ca 0.03 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2kr1 h HIS 15 Cb 0.55 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 2kr1 h HIS 15 CO 0.07 0.58 0.20 0.37 -1.30 0.00 0.00 177.93 177.86 2kr1 h GLN 16 N 0.35 0.40 0.04 5.26 4.15 -1.22 0.60 115.11 124.69 2kr1 h GLN 16 Ca 0.06 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2kr1 h GLN 16 Cb 0.58 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2kr1 h GLN 16 CO 0.04 0.26 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.12 2kr1 h LEU 17 N 0.41 -0.04 0.12 -2.39 3.38 -1.17 -0.86 115.31 114.75 2kr1 h LEU 17 Ca 0.18 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2kr1 h LEU 17 Cb 0.09 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kr1 h LEU 17 CO -0.13 0.63 -0.06 0.71 0.09 0.00 0.00 178.44 179.69 2kr1 h THR 18 N -0.75 0.00 0.18 0.22 1.35 -1.25 -3.31 112.91 109.35 2kr1 h THR 18 Ca -0.00 -0.22 -0.33 0.00 -0.55 0.00 0.00 66.41 65.31 2kr1 h THR 18 Cb 0.66 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.09 2kr1 h THR 18 CO 0.01 0.00 -1.56 -0.33 -0.25 0.00 0.00 175.52 173.39 2kr1 h GLU 19 N -0.37 0.38 0.00 4.72 4.39 -1.54 -3.45 114.58 118.70 2kr1 h GLU 19 Ca -0.02 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.04 2kr1 h GLU 19 Cb 0.12 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2kr1 h GLU 19 CO 0.03 1.28 0.00 0.41 -1.16 0.00 0.00 179.01 179.56 2kr1 n GLY 20 N 1.73 0.86 0.00 -3.84 0.00 0.12 -4.69 105.19 99.36 2kr1 n GLY 20 Ca -0.18 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2kr1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kr1 n GLY 22 N 0.00 2.02 3.68 0.00 0.00 -1.26 -5.00 105.19 104.62 2kr1 n GLY 22 Ca 0.00 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 2kr1 n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kr1 n ASN 23 N 1.30 3.62 -0.06 1.61 4.05 -1.26 -4.93 115.26 119.59 2kr1 n ASN 23 Ca 0.00 0.98 -0.14 0.00 0.45 0.00 0.00 54.58 55.87 2kr1 n ASN 23 Cb 0.00 -1.44 -0.07 0.00 1.23 0.00 0.00 39.78 39.50 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 2kr1 h GLU 24 N 8.80 0.44 -1.78 1.20 4.11 -1.94 -3.28 114.58 122.12 2kr1 h GLU 24 Ca -0.48 -0.25 -0.53 0.00 0.07 0.00 0.00 59.36 58.17 2kr1 h GLU 24 Cb 1.25 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.33 2kr1 h GLU 24 CO 0.94 0.84 0.57 0.00 0.07 0.00 0.00 179.01 181.43 2kr1 n ALA 25 N -2.46 6.17 -2.41 1.06 0.00 -1.26 -4.91 120.51 116.70 2kr1 n ALA 25 Ca -0.06 -2.98 -0.43 0.00 0.00 0.00 0.00 53.44 49.97 2kr1 n ALA 25 Cb 0.42 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 2kr1 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kr1 n THR 27 N 6.47 2.65 -3.56 0.00 -2.24 -1.26 -4.73 114.28 111.62 2kr1 n THR 27 Ca 0.15 -1.49 -0.25 0.00 -2.27 0.00 0.00 64.05 60.19 2kr1 n THR 27 Cb 0.47 -1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 67.07 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2kr1 s ASN 28 N 0.87 2.47 0.49 3.42 3.84 -1.26 -5.02 114.94 119.74 2kr1 s ASN 28 Ca 0.29 -0.74 0.27 0.00 0.21 0.00 0.00 52.86 52.90 2kr1 s ASN 28 Cb 0.20 -0.12 1.22 0.00 -0.55 0.00 0.00 41.25 42.00 2kr1 s ASN 28 CO -0.03 -0.37 1.95 1.05 -2.79 0.00 0.00 177.10 176.91 2kr1 h GLU 29 N 8.39 0.00 -1.54 0.43 9.09 -1.96 -3.11 114.58 125.88 2kr1 h GLU 29 Ca -0.17 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.97 2kr1 h GLU 29 Cb 1.11 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.09 2kr1 h GLU 29 CO 0.33 0.15 0.35 1.19 0.05 0.00 0.00 179.01 181.08 2kr1 n PHE 30 N -3.40 1.33 -3.74 2.06 3.72 -1.26 -3.93 117.46 112.23 2kr1 n PHE 30 Ca -0.01 -1.77 -0.12 0.00 -0.05 0.00 0.00 57.45 55.50 2kr1 n PHE 30 Cb 0.34 -0.86 -0.12 0.00 -0.94 0.00 0.00 39.48 37.89 2kr1 n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kr1 s ALA 32 N 0.89 2.32 0.00 0.00 0.00 -0.33 -3.04 121.76 121.59 2kr1 s ALA 32 Ca -0.06 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2kr1 s ALA 32 Cb -0.07 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2kr1 s ALA 32 CO -0.06 -1.54 0.00 0.43 0.00 0.00 0.00 175.76 174.59 2kr1 n SER 33 N -2.78 -1.65 -4.77 0.00 7.64 -1.26 -4.06 113.62 106.75 2kr1 n SER 33 Ca 0.11 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 2kr1 n SER 33 Cb 0.52 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kr1 n PRO 35 N 2.85 0.18 0.17 0.00 -0.04 -1.26 -1.60 135.00 135.29 2kr1 n PRO 35 Ca -0.11 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2kr1 n PRO 35 Cb 0.52 -1.89 0.07 0.00 -0.04 0.00 0.00 33.50 32.16 2kr1 n PRO 35 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kr1 h THR 36 N 0.00 0.57 -3.48 0.52 1.35 -1.93 -3.44 112.91 106.50 2kr1 h THR 36 Ca 0.00 -1.81 -0.61 0.00 -0.55 0.00 0.00 66.41 63.44 2kr1 h THR 36 Cb 0.28 2.28 -0.11 0.00 -1.73 0.00 0.00 68.15 68.87 2kr1 h THR 36 CO 0.00 0.33 0.20 0.12 -0.25 0.00 0.00 175.52 175.91 2kr1 s PHE 37 N -3.04 3.25 0.04 4.73 5.36 -0.63 -5.00 117.98 122.69 2kr1 s PHE 37 Ca 0.05 0.75 -0.20 0.00 -0.96 0.00 0.00 56.93 56.57 2kr1 s PHE 37 Cb 0.07 -2.94 -0.06 0.00 -0.34 0.00 0.00 43.02 39.74 2kr1 s PHE 37 CO 0.72 -0.41 0.57 -1.17 -1.46 0.00 0.00 175.22 173.47 2kr1 s LEU 38 N 2.60 4.48 0.77 6.12 2.96 -1.26 -4.83 118.68 129.53 2kr1 s LEU 38 Ca 0.27 1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 2kr1 s LEU 38 Cb -0.15 -2.89 0.06 0.00 0.50 0.00 0.00 46.19 43.71 2kr1 s LEU 38 CO 0.10 0.21 1.09 -0.13 -1.32 0.00 0.00 176.35 176.30 2kr1 s ARG 39 N -0.75 2.27 0.12 1.98 1.81 -1.26 -5.07 118.95 118.05 2kr1 s ARG 39 Ca 0.29 1.06 0.00 0.00 -1.72 0.00 0.00 55.73 55.36 2kr1 s ARG 39 Cb -0.19 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 2kr1 s ARG 39 CO 0.18 -1.60 0.16 0.00 -0.68 0.00 0.00 175.30 173.35 2kr1 n MET 40 N -3.48 0.22 -3.06 3.54 0.00 -1.26 -5.19 117.12 107.89 2kr1 n MET 40 Ca 0.08 -1.00 -0.22 0.00 0.00 0.00 0.00 57.70 56.56 2kr1 n MET 40 Cb 0.54 0.93 0.01 0.00 0.00 0.00 0.00 33.22 34.70 2kr1 n MET 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kr1 s ASP 41 N -1.76 5.87 0.42 3.17 1.11 -1.26 -4.97 116.67 119.25 2kr1 s ASP 41 Ca 0.11 0.24 0.09 0.00 0.18 0.00 0.00 52.55 53.16 2kr1 s ASP 41 Cb -0.00 -1.52 0.91 0.00 1.07 0.00 0.00 42.92 43.38 2kr1 s ASP 41 CO 0.08 -0.65 2.05 -0.55 1.18 0.00 0.00 175.17 177.28 2kr1 h ASN 42 N 0.48 0.42 -0.10 0.27 -1.07 -2.03 -1.25 115.58 112.30 2kr1 h ASN 42 Ca -0.46 -0.01 -0.05 0.00 0.07 0.00 0.00 56.30 55.85 2kr1 h ASN 42 Cb 1.25 -0.10 -0.00 0.00 -2.07 0.00 0.00 38.32 37.40 2kr1 h ASN 42 CO 0.57 0.30 -0.11 0.78 0.07 0.00 0.00 177.43 179.04 2kr1 h ASN 43 N 0.50 0.28 -0.65 6.14 2.35 -1.99 -2.13 115.58 120.07 2kr1 h ASN 43 Ca 0.16 -0.49 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 2kr1 h ASN 43 Cb 0.03 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2kr1 h ASN 43 CO -0.04 0.72 0.43 0.00 -1.65 0.00 0.00 177.43 176.89 2kr1 h ALA 44 N 0.57 1.66 -0.46 -0.83 0.00 -1.84 -0.91 119.26 117.46 2kr1 h ALA 44 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2kr1 h ALA 44 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kr1 h ALA 44 CO 0.03 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 2kr1 h ALA 45 N 1.62 0.62 -0.46 0.00 0.00 -1.22 -1.95 119.26 117.87 2kr1 h ALA 45 Ca 0.27 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2kr1 h ALA 45 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2kr1 h ALA 45 CO -0.08 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 2kr1 h ALA 46 N 0.90 0.63 0.49 0.00 0.00 -0.62 -0.35 119.26 120.31 2kr1 h ALA 46 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kr1 h ALA 46 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kr1 h ALA 46 CO 0.03 0.47 -0.24 0.82 0.00 0.00 0.00 179.25 180.33 2kr1 h ILE 47 N 0.69 0.47 0.00 0.00 1.08 -1.21 -2.89 117.51 115.65 2kr1 h ILE 47 Ca 0.13 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2kr1 h ILE 47 Cb 0.56 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2kr1 h ILE 47 CO 0.03 0.05 -0.18 0.50 -0.69 0.00 0.00 178.15 177.85 2kr1 h LYS 48 N -0.85 0.00 -0.13 2.37 1.63 -1.38 -1.57 116.57 116.63 2kr1 h LYS 48 Ca -0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2kr1 h LYS 48 Cb 0.58 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2kr1 h LYS 48 CO 0.11 0.18 0.06 0.00 -3.45 0.00 0.00 179.45 176.35 2kr1 h ALA 49 N 1.82 0.17 -0.16 5.00 0.00 -1.00 -0.69 119.26 124.40 2kr1 h ALA 49 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2kr1 h ALA 49 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kr1 h ALA 49 CO 0.02 -0.26 -0.39 -0.07 0.00 0.00 0.00 179.25 178.55 2kr1 h LEU 50 N 0.07 0.36 -0.09 0.00 -0.00 -1.25 -1.69 115.31 112.73 2kr1 h LEU 50 Ca 0.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 2kr1 h LEU 50 Cb 0.13 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2kr1 h LEU 50 CO -0.01 0.72 0.03 -0.33 -0.00 0.00 0.00 178.44 178.86 2kr1 h GLU 51 N 0.29 0.14 0.00 1.13 4.39 -1.11 -1.03 114.58 118.39 2kr1 h GLU 51 Ca 0.03 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2kr1 h GLU 51 Cb 0.82 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2kr1 h GLU 51 CO 0.07 0.30 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.82 2kr1 h LEU 52 N -0.05 0.00 0.11 1.33 3.38 -1.10 -2.45 115.31 116.53 2kr1 h LEU 52 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kr1 h LEU 52 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kr1 h LEU 52 CO -0.00 0.33 -0.05 0.22 0.09 0.00 0.00 178.44 179.02 2kr1 h TYR 53 N 0.00 -0.14 0.00 1.13 3.20 -1.16 -0.61 116.97 119.40 2kr1 h TYR 53 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2kr1 h TYR 53 Cb 0.59 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2kr1 h TYR 53 CO 0.00 0.27 -0.54 1.57 -1.64 0.00 0.00 178.16 177.83 2kr1 h LYS 54 N -0.59 0.00 -0.00 1.82 2.10 -1.06 -2.40 116.57 116.43 2kr1 h LYS 54 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kr1 h LYS 54 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2kr1 h LYS 54 CO 0.02 0.54 -0.41 0.44 -2.00 0.00 0.00 179.45 178.04 2kr1 n ILE 55 N -3.89 0.00 -3.26 0.07 -5.35 -0.94 -4.97 119.36 101.02 2kr1 n ILE 55 Ca -0.01 -0.02 -0.16 0.00 -0.27 0.00 0.00 62.75 62.29 2kr1 n ILE 55 Cb 0.55 0.19 0.07 0.00 -1.74 0.00 0.00 39.64 38.72 2kr1 n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kr1 n ASN 56 N -1.36 -2.92 -4.64 7.28 5.03 -0.90 -5.00 115.26 112.75 2kr1 n ASN 56 Ca 0.07 -0.51 -0.29 0.00 0.87 0.00 0.00 54.58 54.72 2kr1 n ASN 56 Cb 0.34 -4.40 0.19 0.00 -1.02 0.00 0.00 39.78 34.88 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kr1 s ALA 57 N -3.30 0.68 -0.37 5.41 0.00 -0.26 -4.90 121.76 119.01 2kr1 s ALA 57 Ca 0.12 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 2kr1 s ALA 57 Cb -0.05 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 2kr1 s ALA 57 CO 0.62 -3.03 2.32 0.36 0.00 0.00 0.00 175.76 176.03 2kr1 n LYS 58 N -4.33 1.42 -2.97 0.00 2.85 -1.26 -4.96 118.16 108.90 2kr1 n LYS 58 Ca 0.05 0.26 -0.39 0.00 -1.05 0.00 0.00 58.31 57.18 2kr1 n LYS 58 Cb 0.56 -3.20 -0.06 0.00 -0.65 0.00 0.00 35.03 31.68 2kr1 n LYS 58 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kr1 s LEU 59 N 9.96 4.57 -0.56 -5.58 2.96 -1.26 -4.98 118.68 123.80 2kr1 s LEU 59 Ca 1.02 1.65 -0.20 0.00 -0.22 0.00 0.00 54.13 56.38 2kr1 s LEU 59 Cb -0.34 -3.35 0.08 0.00 0.50 0.00 0.00 46.19 43.07 2kr1 s LEU 59 CO 0.33 0.19 0.71 0.00 -1.32 0.00 0.00 176.35 176.25 2kr1 s ASP 61 N 3.18 4.15 -0.24 0.00 2.15 -1.26 -5.00 116.67 119.65 2kr1 s ASP 61 Ca 0.15 -0.26 -0.28 0.00 0.43 0.00 0.00 52.55 52.58 2kr1 s ASP 61 Cb -0.21 -1.49 -0.05 0.00 -0.30 0.00 0.00 42.92 40.87 2kr1 s ASP 61 CO 0.10 0.20 2.24 -0.81 -0.17 0.00 0.00 175.17 176.73 2kr1 n PRO 62 N 3.26 1.87 -2.41 4.34 -0.04 -1.26 -4.96 135.00 135.80 2kr1 n PRO 62 Ca -0.18 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 2kr1 n PRO 62 Cb 0.53 -3.22 -0.04 0.00 -0.04 0.00 0.00 33.50 30.73 2kr1 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kr1 s HIS 63 N 8.54 3.48 -2.00 0.54 3.76 -1.26 -5.28 115.29 123.07 2kr1 s HIS 63 Ca 1.01 1.61 0.23 0.00 -0.15 0.00 0.00 55.06 57.76 2kr1 s HIS 63 Cb -0.35 -3.37 1.36 0.00 1.11 0.00 0.00 32.58 31.34 2kr1 s HIS 63 CO 0.35 -0.85 1.73 -0.35 -0.85 0.00 0.00 174.74 174.77