#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 2.64 0.54 3.17 2.20 -1.26 -4.98 119.74 122.05 2kr1 s LYS 2 Ca 0.00 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.71 2kr1 s LYS 2 Cb 0.00 -4.61 -0.06 0.00 -1.51 0.00 0.00 37.83 31.64 2kr1 s LYS 2 CO 0.00 -2.91 1.01 1.03 -0.36 0.00 0.00 175.35 174.12 2kr1 s ARG 3 N 6.95 3.76 0.10 4.03 1.81 -1.26 -4.96 118.95 129.38 2kr1 s ARG 3 Ca 0.67 0.99 -0.17 0.00 -1.72 0.00 0.00 55.73 55.50 2kr1 s ARG 3 Cb -0.10 -2.11 -0.05 0.00 -0.45 0.00 0.00 34.95 32.24 2kr1 s ARG 3 CO 0.13 -0.43 1.55 0.00 -0.68 0.00 0.00 175.30 175.87 2kr1 h ALA 4 N 0.68 0.43 -0.44 2.13 0.00 -2.00 -1.59 119.26 118.47 2kr1 h ALA 4 Ca -0.46 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kr1 h ALA 4 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kr1 h ALA 4 CO 0.61 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 180.03 2kr1 h ALA 5 N 0.85 1.17 -0.16 0.00 0.00 -1.99 -2.33 119.26 116.81 2kr1 h ALA 5 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kr1 h ALA 5 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kr1 h ALA 5 CO 0.01 0.54 0.06 0.00 0.00 0.00 0.00 179.25 179.87 2kr1 h ALA 6 N 1.32 0.21 -0.44 0.00 0.00 -1.91 0.41 119.26 118.86 2kr1 h ALA 6 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kr1 h ALA 6 Cb 0.42 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2kr1 h ALA 6 CO 0.02 -0.19 0.22 -0.22 0.00 0.00 0.00 179.25 179.08 2kr1 h LYS 7 N 0.10 0.44 -0.20 0.00 3.64 -1.18 -1.05 116.57 118.32 2kr1 h LYS 7 Ca 0.05 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2kr1 h LYS 7 Cb 0.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kr1 h LYS 7 CO -0.00 0.29 -0.34 0.45 -2.27 0.00 0.00 179.45 177.57 2kr1 h HIS 8 N 0.45 0.47 -0.23 1.91 3.86 -1.32 -1.48 115.15 118.81 2kr1 h HIS 8 Ca 0.19 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 2kr1 h HIS 8 Cb 0.08 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2kr1 h HIS 8 CO -0.10 0.71 -0.10 -0.07 0.86 0.00 0.00 177.93 179.23 2kr1 h LEU 9 N 0.35 0.48 -1.54 2.43 -0.00 -0.52 -1.31 115.31 115.19 2kr1 h LEU 9 Ca 0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2kr1 h LEU 9 Cb 0.78 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 2kr1 h LEU 9 CO 0.06 0.77 0.30 0.40 -0.00 0.00 0.00 178.44 179.97 2kr1 h ILE 10 N 0.18 1.12 -0.41 1.22 2.04 -1.14 -1.44 117.51 119.07 2kr1 h ILE 10 Ca 0.05 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 2kr1 h ILE 10 Cb 0.59 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2kr1 h ILE 10 CO 0.03 0.12 -0.26 -0.08 0.00 0.00 0.00 178.15 177.95 2kr1 h GLU 11 N 0.62 0.87 -0.19 2.37 4.57 -0.89 0.81 114.58 122.75 2kr1 h GLU 11 Ca 0.17 -0.39 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 2kr1 h GLU 11 Cb -0.06 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2kr1 h GLU 11 CO -0.04 1.03 -0.19 0.00 -1.18 0.00 0.00 179.01 178.64 2kr1 h ARG 12 N 0.75 0.46 -0.90 1.92 3.08 -0.80 -1.79 114.38 117.08 2kr1 h ARG 12 Ca 0.09 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2kr1 h ARG 12 Cb 0.82 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 2kr1 h ARG 12 CO 0.07 0.81 0.52 1.88 -1.07 0.00 0.00 179.97 182.18 2kr1 h TYR 13 N 0.12 1.22 -0.09 3.04 0.05 -1.26 -1.67 116.97 118.38 2kr1 h TYR 13 Ca 0.03 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 2kr1 h TYR 13 Cb 0.73 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 2kr1 h TYR 13 CO 0.08 0.83 0.05 -0.92 -1.05 0.00 0.00 178.16 177.15 2kr1 h TYR 14 N 1.26 0.13 0.00 4.88 3.20 -0.73 -1.98 116.97 123.73 2kr1 h TYR 14 Ca 0.32 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2kr1 h TYR 14 Cb -0.01 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 2kr1 h TYR 14 CO 0.01 0.18 -0.07 0.45 -1.64 0.00 0.00 178.16 177.09 2kr1 h HIS 15 N 0.05 0.00 -0.12 -3.82 3.86 -1.21 -1.61 115.15 112.29 2kr1 h HIS 15 Ca 0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 2kr1 h HIS 15 Cb 0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.57 2kr1 h HIS 15 CO -0.04 0.07 -0.56 0.37 0.86 0.00 0.00 177.93 178.62 2kr1 h GLN 16 N 0.00 0.60 0.00 2.45 4.15 -0.59 0.89 115.11 122.61 2kr1 h GLN 16 Ca -0.00 -0.48 -0.19 0.00 0.77 0.00 0.00 58.65 58.75 2kr1 h GLN 16 Cb 0.31 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2kr1 h GLN 16 CO 0.01 1.10 -0.92 -0.07 -1.93 0.00 0.00 178.83 177.02 2kr1 h LEU 17 N 0.23 0.00 0.00 -2.39 -0.00 -0.98 -0.16 115.31 112.01 2kr1 h LEU 17 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2kr1 h LEU 17 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2kr1 h LEU 17 CO 0.12 0.92 -0.19 0.71 -0.00 0.00 0.00 178.44 180.00 2kr1 h THR 18 N 0.00 0.00 0.07 0.22 1.35 -1.42 -3.39 112.91 109.73 2kr1 h THR 18 Ca -0.01 -0.91 -0.37 0.00 -0.55 0.00 0.00 66.41 64.57 2kr1 h THR 18 Cb 1.65 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 2kr1 h THR 18 CO 0.12 0.00 -2.19 -0.62 -0.25 0.00 0.00 175.52 172.58 2kr1 n GLU 19 N -4.47 0.71 0.00 4.72 -0.58 -0.54 -4.83 120.64 115.65 2kr1 n GLU 19 Ca -0.03 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2kr1 n GLU 19 Cb 0.10 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kr1 n GLY 20 N 2.08 1.03 0.24 0.62 0.00 0.20 -4.24 105.19 105.12 2kr1 n GLY 20 Ca -0.38 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 1.83 3.51 0.00 0.00 -1.26 -4.96 105.19 104.31 2kr1 n GLY 22 Ca 0.00 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 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 3.53 2.44 0.09 1.61 4.05 -1.26 -4.86 115.26 120.87 2kr1 n ASN 23 Ca 0.00 0.24 -0.16 0.00 0.45 0.00 0.00 54.58 55.11 2kr1 n ASN 23 Cb 0.00 -1.38 -0.11 0.00 1.23 0.00 0.00 39.78 39.53 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 13.96 0.36 -2.56 1.20 9.09 -1.92 -3.34 114.58 131.37 2kr1 h GLU 24 Ca -0.30 -0.51 -0.51 0.00 0.05 0.00 0.00 59.36 58.08 2kr1 h GLU 24 Cb 1.29 0.18 -0.04 0.00 -1.65 0.00 0.00 28.75 28.53 2kr1 h GLU 24 CO 1.03 1.21 2.07 0.00 0.05 0.00 0.00 179.01 183.36 2kr1 n ALA 25 N -2.56 7.03 -2.83 1.06 0.00 -1.26 -4.22 120.51 117.72 2kr1 n ALA 25 Ca -0.09 -3.01 -0.36 0.00 0.00 0.00 0.00 53.44 49.98 2kr1 n ALA 25 Cb 0.96 -2.88 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 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 2.40 3.50 -3.34 0.00 -2.24 -1.26 -4.66 114.28 108.67 2kr1 n THR 27 Ca -0.19 -2.40 0.02 0.00 -2.27 0.00 0.00 64.05 59.21 2kr1 n THR 27 Cb 0.54 -1.96 -0.02 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.34 -1.28 0.40 3.42 2.47 -1.26 -5.03 114.94 115.00 2kr1 s ASN 28 Ca 0.64 1.13 0.21 0.00 0.42 0.00 0.00 52.86 55.26 2kr1 s ASN 28 Cb 0.31 2.21 0.74 0.00 -1.45 0.00 0.00 41.25 43.06 2kr1 s ASN 28 CO -0.09 -0.25 1.75 1.05 -3.72 0.00 0.00 177.10 175.85 2kr1 h GLU 29 N 8.00 0.00 -2.00 0.43 4.11 -1.89 -3.26 114.58 119.98 2kr1 h GLU 29 Ca -0.21 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.78 2kr1 h GLU 29 Cb 1.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 2kr1 h GLU 29 CO 0.20 0.31 0.23 1.19 0.07 0.00 0.00 179.01 181.01 2kr1 n PHE 30 N -3.43 1.27 -3.72 2.06 3.72 -1.26 -3.68 117.46 112.42 2kr1 n PHE 30 Ca 0.00 -1.85 -0.12 0.00 -0.05 0.00 0.00 57.45 55.43 2kr1 n PHE 30 Cb 0.49 -1.42 -0.12 0.00 -0.94 0.00 0.00 39.48 37.48 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 1.33 2.48 0.00 0.00 0.00 -0.12 -3.26 121.76 122.19 2kr1 s ALA 32 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2kr1 s ALA 32 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kr1 s ALA 32 CO -0.10 -1.46 0.00 0.45 0.00 0.00 0.00 175.76 174.65 2kr1 n SER 33 N -3.29 -1.20 -4.87 0.00 2.88 -1.26 -4.10 113.62 101.78 2kr1 n SER 33 Ca 0.08 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.27 2kr1 n SER 33 Cb 0.54 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.42 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kr1 h PRO 35 N 3.95 0.00 -0.00 0.00 0.13 -1.90 -2.66 132.00 131.52 2kr1 h PRO 35 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kr1 h PRO 35 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kr1 h PRO 35 CO 0.65 0.12 -0.14 0.25 -0.23 0.00 0.00 178.00 178.66 2kr1 n THR 36 N -3.34 0.00 -2.74 1.56 -2.24 -1.26 -4.88 114.28 101.38 2kr1 n THR 36 Ca -0.00 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 2kr1 n THR 36 Cb 0.33 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 2kr1 n THR 36 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kr1 s PHE 37 N -2.68 3.51 -0.13 4.78 5.36 -1.00 -4.86 117.98 122.95 2kr1 s PHE 37 Ca 0.23 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 2kr1 s PHE 37 Cb 0.19 -2.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2kr1 s PHE 37 CO 0.52 -0.19 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.75 2kr1 s LEU 38 N -4.20 1.85 0.77 6.12 0.20 -1.26 -4.98 118.68 117.17 2kr1 s LEU 38 Ca 0.50 -0.51 -0.14 0.00 0.69 0.00 0.00 54.13 54.67 2kr1 s LEU 38 Cb -0.10 -1.24 0.06 0.00 -0.43 0.00 0.00 46.19 44.47 2kr1 s LEU 38 CO 0.37 0.01 1.18 0.54 -0.29 0.00 0.00 176.35 178.16 2kr1 n ARG 39 N 4.36 0.39 -3.93 1.98 5.12 -1.26 -5.06 116.66 118.26 2kr1 n ARG 39 Ca -0.19 0.20 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 2kr1 n ARG 39 Cb 0.51 -2.42 -0.03 0.00 -1.16 0.00 0.00 32.46 29.36 2kr1 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kr1 s MET 40 N -3.87 1.78 0.77 5.56 0.23 -1.26 -5.16 119.30 117.35 2kr1 s MET 40 Ca 0.75 -1.26 -0.11 0.00 -1.03 0.00 0.00 55.69 54.04 2kr1 s MET 40 Cb -0.31 0.54 0.05 0.00 -1.53 0.00 0.00 34.83 33.58 2kr1 s MET 40 CO 0.49 -0.78 1.10 -0.51 -2.03 0.00 0.00 175.02 173.28 2kr1 s ASP 41 N -3.02 4.48 0.47 -1.18 1.01 -1.26 -4.86 116.67 112.31 2kr1 s ASP 41 Ca 0.19 1.87 0.25 0.00 0.71 0.00 0.00 52.55 55.57 2kr1 s ASP 41 Cb -0.03 -2.53 1.11 0.00 1.01 0.00 0.00 42.92 42.48 2kr1 s ASP 41 CO 0.10 -2.05 1.92 -0.55 0.21 0.00 0.00 175.17 174.80 2kr1 h ASN 42 N -1.02 0.00 -0.13 0.27 7.08 -1.98 0.70 115.58 120.51 2kr1 h ASN 42 Ca -0.44 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.55 2kr1 h ASN 42 Cb 1.24 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.49 2kr1 h ASN 42 CO 0.51 0.20 -0.82 0.78 -2.08 0.00 0.00 177.43 176.02 2kr1 h ASN 43 N 0.00 0.94 0.35 6.14 4.21 -1.99 -1.21 115.58 124.02 2kr1 h ASN 43 Ca -0.00 -0.65 -0.10 0.00 1.21 0.00 0.00 56.30 56.75 2kr1 h ASN 43 Cb 0.59 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 2kr1 h ASN 43 CO 0.03 1.44 -0.44 0.00 -1.29 0.00 0.00 177.43 177.17 2kr1 h ALA 44 N 0.52 1.16 0.00 -0.83 0.00 -1.81 -2.06 119.26 116.24 2kr1 h ALA 44 Ca -0.07 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2kr1 h ALA 44 Cb 1.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2kr1 h ALA 44 CO 0.17 0.59 -0.55 0.00 0.00 0.00 0.00 179.25 179.46 2kr1 h ALA 45 N 1.44 0.97 -0.18 0.00 0.00 -0.81 -0.68 119.26 120.00 2kr1 h ALA 45 Ca 0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2kr1 h ALA 45 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kr1 h ALA 45 CO 0.06 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.66 2kr1 h ALA 46 N 1.45 0.29 -0.40 0.00 0.00 -0.92 -0.56 119.26 119.12 2kr1 h ALA 46 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kr1 h ALA 46 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kr1 h ALA 46 CO 0.07 0.34 0.22 0.82 0.00 0.00 0.00 179.25 180.71 2kr1 h ILE 47 N 0.21 1.14 0.00 0.00 1.08 -1.28 -2.30 117.51 116.37 2kr1 h ILE 47 Ca 0.01 -0.36 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 2kr1 h ILE 47 Cb 0.94 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2kr1 h ILE 47 CO 0.08 0.15 -0.43 0.50 -0.69 0.00 0.00 178.15 177.76 2kr1 h LYS 48 N 0.51 0.00 -0.41 2.37 1.63 -1.15 -1.35 116.57 118.17 2kr1 h LYS 48 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2kr1 h LYS 48 Cb 0.04 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2kr1 h LYS 48 CO -0.02 0.43 0.22 0.00 -3.45 0.00 0.00 179.45 176.62 2kr1 h ALA 49 N 1.57 0.53 -0.03 5.00 0.00 -0.86 -1.67 119.26 123.80 2kr1 h ALA 49 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2kr1 h ALA 49 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kr1 h ALA 49 CO 0.06 0.06 -0.43 -0.07 0.00 0.00 0.00 179.25 178.87 2kr1 h LEU 50 N 0.53 0.07 -0.08 0.00 -0.00 -0.88 0.13 115.31 115.08 2kr1 h LEU 50 Ca 0.14 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2kr1 h LEU 50 Cb 0.07 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2kr1 h LEU 50 CO -0.02 0.49 0.01 -0.33 -0.00 0.00 0.00 178.44 178.59 2kr1 h GLU 51 N 0.06 0.13 0.00 1.13 4.39 -1.06 -1.62 114.58 117.62 2kr1 h GLU 51 Ca 0.00 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2kr1 h GLU 51 Cb 0.78 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2kr1 h GLU 51 CO 0.06 0.37 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.85 2kr1 h LEU 52 N -0.12 0.00 -0.07 1.33 3.38 -1.21 -2.80 115.31 115.82 2kr1 h LEU 52 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kr1 h LEU 52 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kr1 h LEU 52 CO 0.00 0.36 -0.06 0.22 0.09 0.00 0.00 178.44 179.05 2kr1 h TYR 53 N 0.00 0.20 -0.21 1.13 3.20 -0.87 -0.04 116.97 120.38 2kr1 h TYR 53 Ca -0.00 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 2kr1 h TYR 53 Cb 0.74 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2kr1 h TYR 53 CO 0.00 0.59 -0.42 1.57 -1.64 0.00 0.00 178.16 178.25 2kr1 h LYS 54 N -0.24 0.50 0.00 1.82 2.10 -1.23 -2.48 116.57 117.04 2kr1 h LYS 54 Ca 0.01 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2kr1 h LYS 54 Cb 0.54 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2kr1 h LYS 54 CO 0.02 0.83 -0.35 -0.84 -2.00 0.00 0.00 179.45 177.11 2kr1 h ILE 55 N 0.41 0.00 -5.54 0.07 3.07 -1.59 -3.49 117.51 110.43 2kr1 h ILE 55 Ca 0.03 -0.64 -0.10 0.00 1.55 0.00 0.00 64.86 65.71 2kr1 h ILE 55 Cb 0.91 1.43 0.03 0.00 -0.27 0.00 0.00 36.82 38.92 2kr1 h ILE 55 CO 0.08 0.00 -0.26 -3.20 -1.05 0.00 0.00 178.15 173.72 2kr1 n ASN 56 N -2.41 -7.28 -2.18 2.16 5.15 -0.45 -5.04 115.26 105.21 2kr1 n ASN 56 Ca 0.04 -0.28 -0.02 0.00 -0.60 0.00 0.00 54.58 53.72 2kr1 n ASN 56 Cb 0.47 -4.89 0.01 0.00 -0.53 0.00 0.00 39.78 34.84 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kr1 n ALA 57 N -2.14 -0.06 -1.56 5.20 0.00 -0.16 -4.96 120.51 116.83 2kr1 n ALA 57 Ca -0.04 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 2kr1 n ALA 57 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2kr1 n ALA 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kr1 n LYS 58 N -1.19 1.24 -3.68 0.00 4.76 -1.26 -4.96 118.16 113.07 2kr1 n LYS 58 Ca 0.01 0.12 -0.36 0.00 -2.87 0.00 0.00 58.31 55.21 2kr1 n LYS 58 Cb 0.05 -3.39 -0.09 0.00 -1.84 0.00 0.00 35.03 29.76 2kr1 n LYS 58 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2kr1 s LEU 59 N 11.35 4.17 -1.35 -0.35 2.96 -1.26 -5.01 118.68 129.20 2kr1 s LEU 59 Ca 0.99 0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 54.95 2kr1 s LEU 59 Cb -0.22 -2.13 0.06 0.00 0.50 0.00 0.00 46.19 44.41 2kr1 s LEU 59 CO 0.28 0.12 1.90 0.00 -1.32 0.00 0.00 176.35 177.33 2kr1 s ASP 61 N 3.80 3.13 -0.40 0.00 2.15 -1.26 -5.02 116.67 119.07 2kr1 s ASP 61 Ca 0.51 -0.47 -0.28 0.00 0.43 0.00 0.00 52.55 52.74 2kr1 s ASP 61 Cb 0.07 -0.60 -0.01 0.00 -0.30 0.00 0.00 42.92 42.08 2kr1 s ASP 61 CO 0.02 0.29 1.64 -2.84 -0.17 0.00 0.00 175.17 174.11 2kr1 s PRO 62 N -0.41 3.34 -0.43 4.34 0.02 -1.26 -4.97 135.00 135.63 2kr1 s PRO 62 Ca 0.04 1.10 -0.05 0.00 0.02 0.00 0.00 61.00 62.11 2kr1 s PRO 62 Cb -0.12 -4.15 0.11 0.00 0.02 0.00 0.00 34.50 30.36 2kr1 s PRO 62 CO 0.01 -1.85 0.25 -1.58 -0.33 0.00 0.00 177.00 173.50 2kr1 s HIS 63 N 6.55 3.50 -1.77 6.54 2.46 -1.26 -5.30 115.29 126.02 2kr1 s HIS 63 Ca 0.70 -2.14 0.00 0.00 0.47 0.00 0.00 55.06 54.09 2kr1 s HIS 63 Cb -0.17 -3.26 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 2kr1 s HIS 63 CO 0.31 -0.96 0.44 -2.30 -2.47 0.00 0.00 174.74 169.76