#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 n LYS 2 N 0.00 1.59 -0.17 2.12 4.76 -1.26 -4.61 118.16 120.60 2kr1 n LYS 2 Ca 0.00 -1.18 -0.07 0.00 -2.87 0.00 0.00 58.31 54.19 2kr1 n LYS 2 Cb 0.00 -1.48 0.09 0.00 -1.84 0.00 0.00 35.03 31.81 2kr1 n LYS 2 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2kr1 h ARG 3 N 2.89 0.96 -0.18 1.97 9.65 -2.06 0.11 114.38 127.72 2kr1 h ARG 3 Ca 0.00 -0.27 -0.08 0.00 -1.10 0.00 0.00 59.98 58.53 2kr1 h ARG 3 Cb 0.72 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2kr1 h ARG 3 CO 0.00 0.93 -0.21 0.00 2.80 0.00 0.00 179.97 183.49 2kr1 h ALA 4 N 1.13 0.27 -0.46 2.80 0.00 -2.00 -2.38 119.26 118.62 2kr1 h ALA 4 Ca 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kr1 h ALA 4 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kr1 h ALA 4 CO 0.02 0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.76 2kr1 h ALA 5 N 0.62 1.62 0.08 0.00 0.00 -1.77 -0.64 119.26 119.17 2kr1 h ALA 5 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kr1 h ALA 5 Cb 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kr1 h ALA 5 CO 0.05 0.33 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 2kr1 h ALA 6 N 1.67 -0.10 -0.77 0.00 0.00 -0.72 -1.17 119.26 118.17 2kr1 h ALA 6 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kr1 h ALA 6 Cb -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2kr1 h ALA 6 CO -0.03 -0.42 0.44 -0.22 0.00 0.00 0.00 179.25 179.03 2kr1 h LYS 7 N -0.39 1.06 -0.48 0.00 3.64 -1.10 -1.70 116.57 117.60 2kr1 h LYS 7 Ca -0.01 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 2kr1 h LYS 7 Cb 0.34 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kr1 h LYS 7 CO 0.02 0.77 0.02 0.45 -2.27 0.00 0.00 179.45 178.44 2kr1 h HIS 8 N 1.06 0.90 -0.35 1.91 3.86 -1.10 -0.79 115.15 120.65 2kr1 h HIS 8 Ca 0.27 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2kr1 h HIS 8 Cb 0.00 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2kr1 h HIS 8 CO -0.00 0.85 0.13 -0.07 0.86 0.00 0.00 177.93 179.71 2kr1 h LEU 9 N 0.69 0.49 -0.90 2.43 -0.00 -1.00 0.10 115.31 117.12 2kr1 h LEU 9 Ca 0.14 -0.17 0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2kr1 h LEU 9 Cb 0.48 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 2kr1 h LEU 9 CO 0.02 0.53 0.58 0.40 -0.00 0.00 0.00 178.44 179.96 2kr1 h ILE 10 N 0.42 1.11 -0.10 1.22 2.04 -1.23 -0.96 117.51 120.00 2kr1 h ILE 10 Ca 0.12 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 2kr1 h ILE 10 Cb 0.20 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2kr1 h ILE 10 CO -0.01 0.20 -0.42 -0.08 0.00 0.00 0.00 178.15 177.84 2kr1 h GLU 11 N 1.09 0.23 -0.14 2.37 4.57 -0.55 0.66 114.58 122.81 2kr1 h GLU 11 Ca 0.37 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.33 2kr1 h GLU 11 Cb 0.08 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2kr1 h GLU 11 CO -0.14 0.62 -0.37 0.00 -1.18 0.00 0.00 179.01 177.94 2kr1 h ARG 12 N 0.19 0.50 -0.27 1.92 2.47 -0.29 -1.27 114.38 117.64 2kr1 h ARG 12 Ca 0.02 -0.35 -0.08 0.00 -1.26 0.00 0.00 59.98 58.31 2kr1 h ARG 12 Cb 0.83 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 2kr1 h ARG 12 CO 0.06 0.96 -0.16 1.88 0.56 0.00 0.00 179.97 183.28 2kr1 h TYR 13 N 0.12 0.51 0.28 3.04 0.05 -1.06 -0.98 116.97 118.93 2kr1 h TYR 13 Ca -0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2kr1 h TYR 13 Cb 0.98 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2kr1 h TYR 13 CO 0.10 0.61 -0.13 -0.92 -1.05 0.00 0.00 178.16 176.77 2kr1 h TYR 14 N 0.43 -0.34 0.00 4.88 3.20 -0.84 -2.62 116.97 121.67 2kr1 h TYR 14 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2kr1 h TYR 14 Cb 0.53 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2kr1 h TYR 14 CO 0.02 0.02 -0.08 0.45 -1.64 0.00 0.00 178.16 176.92 2kr1 h HIS 15 N -0.87 0.00 -0.10 -3.82 3.86 -1.26 -1.13 115.15 111.83 2kr1 h HIS 15 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2kr1 h HIS 15 Cb 0.51 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 2kr1 h HIS 15 CO 0.05 0.08 0.02 0.37 0.86 0.00 0.00 177.93 179.30 2kr1 h GLN 16 N 0.00 0.16 -0.03 2.45 4.15 -1.14 0.30 115.11 121.00 2kr1 h GLN 16 Ca -0.00 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 2kr1 h GLN 16 Cb 0.22 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.90 2kr1 h GLN 16 CO 0.01 0.35 -0.56 -0.07 -1.93 0.00 0.00 178.83 176.63 2kr1 h LEU 17 N -0.06 0.54 0.12 -2.39 3.38 -1.01 0.03 115.31 115.92 2kr1 h LEU 17 Ca 0.03 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 2kr1 h LEU 17 Cb 0.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2kr1 h LEU 17 CO 0.00 1.19 -0.06 0.71 0.09 0.00 0.00 178.44 180.37 2kr1 h THR 18 N -0.06 0.13 0.06 0.22 1.35 -1.34 -3.37 112.91 109.90 2kr1 h THR 18 Ca -0.06 -0.96 -0.36 0.00 -0.55 0.00 0.00 66.41 64.47 2kr1 h THR 18 Cb 1.25 0.23 -0.04 0.00 -1.73 0.00 0.00 68.15 67.85 2kr1 h THR 18 CO 0.11 0.04 -2.16 -0.62 -0.25 0.00 0.00 175.52 172.64 2kr1 n GLU 19 N -4.87 0.70 0.00 4.72 -0.58 -0.59 -4.91 120.64 115.11 2kr1 n GLU 19 Ca -0.03 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 2kr1 n GLU 19 Cb 0.09 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 2.00 0.84 0.00 0.62 0.00 0.96 -4.63 105.19 104.99 2kr1 n GLY 20 Ca -0.35 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 2.38 3.60 0.00 0.00 -1.26 -5.01 105.19 104.91 2kr1 n GLY 22 Ca 0.00 -0.11 -0.45 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 0.97 3.33 0.07 1.61 4.05 -1.26 -4.92 115.26 119.11 2kr1 n ASN 23 Ca 0.00 0.52 -0.13 0.00 0.45 0.00 0.00 54.58 55.42 2kr1 n ASN 23 Cb 0.00 -1.47 -0.08 0.00 1.23 0.00 0.00 39.78 39.46 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 12.66 -0.12 -2.05 1.20 4.11 -1.95 -3.24 114.58 125.20 2kr1 h GLU 24 Ca -0.42 0.01 -0.74 0.00 0.07 0.00 0.00 59.36 58.28 2kr1 h GLU 24 Cb 1.26 0.03 -0.31 0.00 0.50 0.00 0.00 28.75 30.23 2kr1 h GLU 24 CO 0.96 0.01 0.63 0.00 0.07 0.00 0.00 179.01 180.68 2kr1 n ALA 25 N -2.20 5.98 -1.84 1.06 0.00 -1.26 -4.75 120.51 117.50 2kr1 n ALA 25 Ca -0.08 -4.38 -0.40 0.00 0.00 0.00 0.00 53.44 48.58 2kr1 n ALA 25 Cb 0.12 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 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 1.57 2.28 -3.58 0.00 5.66 -1.26 -4.28 114.28 114.67 2kr1 n THR 27 Ca -0.00 -5.10 -0.14 0.00 -3.05 0.00 0.00 64.05 55.76 2kr1 n THR 27 Cb 0.46 -2.17 -0.12 0.00 -1.55 0.00 0.00 70.33 66.94 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2kr1 s ASN 28 N -1.75 0.53 0.48 1.09 3.84 -1.26 -5.04 114.94 112.82 2kr1 s ASN 28 Ca 0.32 0.38 0.22 0.00 0.21 0.00 0.00 52.86 53.99 2kr1 s ASN 28 Cb 0.04 0.74 1.24 0.00 -0.55 0.00 0.00 41.25 42.71 2kr1 s ASN 28 CO -0.09 -0.27 1.93 1.05 -2.79 0.00 0.00 177.10 176.93 2kr1 h GLU 29 N 8.27 0.21 -3.07 0.43 4.11 -1.94 -2.51 114.58 120.08 2kr1 h GLU 29 Ca -0.16 -0.01 -0.76 0.00 0.07 0.00 0.00 59.36 58.50 2kr1 h GLU 29 Cb 1.13 -0.05 -0.31 0.00 0.50 0.00 0.00 28.75 30.02 2kr1 h GLU 29 CO 0.19 0.14 0.34 1.19 0.07 0.00 0.00 179.01 180.93 2kr1 n PHE 30 N -4.42 3.61 -3.64 2.06 3.72 -1.26 -3.90 117.46 113.63 2kr1 n PHE 30 Ca 0.14 -3.45 -0.06 0.00 -0.05 0.00 0.00 57.45 54.04 2kr1 n PHE 30 Cb 0.66 -1.25 -0.07 0.00 -0.94 0.00 0.00 39.48 37.87 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 0.27 2.70 -0.97 0.00 0.00 -0.02 -2.89 121.76 120.85 2kr1 s ALA 32 Ca 0.03 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2kr1 s ALA 32 Cb -0.05 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2kr1 s ALA 32 CO -0.10 -0.78 0.00 0.43 0.00 0.00 0.00 175.76 175.30 2kr1 n SER 33 N -1.67 -4.32 -4.42 0.00 7.64 -1.26 -4.29 113.62 105.30 2kr1 n SER 33 Ca 0.10 0.23 -0.33 0.00 1.01 0.00 0.00 58.87 59.87 2kr1 n SER 33 Cb 0.52 -2.62 -0.14 0.00 -1.01 0.00 0.00 64.21 60.96 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kr1 h PRO 35 N 6.60 0.00 0.00 0.00 0.13 -1.89 -1.41 132.00 135.42 2kr1 h PRO 35 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2kr1 h PRO 35 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kr1 h PRO 35 CO 0.57 0.06 -0.21 1.79 -0.23 0.00 0.00 178.00 179.99 2kr1 h THR 36 N 0.00 0.52 -2.74 1.56 1.35 -1.90 -3.44 112.91 108.27 2kr1 h THR 36 Ca -0.00 -1.06 -0.65 0.00 -0.55 0.00 0.00 66.41 64.14 2kr1 h THR 36 Cb 0.29 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 2kr1 h THR 36 CO 0.01 0.20 -0.42 0.12 -0.25 0.00 0.00 175.52 175.18 2kr1 s PHE 37 N -3.67 3.62 0.06 4.73 5.36 -0.53 -4.82 117.98 122.72 2kr1 s PHE 37 Ca 0.00 0.61 0.06 0.00 -0.96 0.00 0.00 56.93 56.64 2kr1 s PHE 37 Cb 0.10 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.74 2kr1 s PHE 37 CO 0.63 0.71 -0.10 -0.51 -1.46 0.00 0.00 175.22 174.49 2kr1 s LEU 38 N -1.13 3.03 0.31 6.12 1.43 -1.26 -4.79 118.68 122.38 2kr1 s LEU 38 Ca 0.18 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 2kr1 s LEU 38 Cb -0.13 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 2kr1 s LEU 38 CO 0.07 0.23 1.36 -0.13 0.23 0.00 0.00 176.35 178.11 2kr1 s ARG 39 N -1.81 4.31 0.09 1.70 1.81 -1.26 -5.05 118.95 118.75 2kr1 s ARG 39 Ca 0.19 2.26 0.01 0.00 -1.72 0.00 0.00 55.73 56.48 2kr1 s ARG 39 Cb -0.11 -3.08 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 2kr1 s ARG 39 CO 0.10 -0.29 -0.06 0.00 -0.68 0.00 0.00 175.30 174.37 2kr1 s MET 40 N -1.33 0.79 0.77 3.54 0.23 -1.26 -5.17 119.30 116.88 2kr1 s MET 40 Ca 0.53 -1.29 -0.11 0.00 -1.03 0.00 0.00 55.69 53.78 2kr1 s MET 40 Cb -0.41 -0.17 0.05 0.00 -1.53 0.00 0.00 34.83 32.78 2kr1 s MET 40 CO 0.50 -0.02 1.08 -0.51 -2.03 0.00 0.00 175.02 174.04 2kr1 s ASP 41 N -2.95 4.62 0.54 -1.18 1.11 -1.26 -4.83 116.67 112.72 2kr1 s ASP 41 Ca 0.10 1.67 0.26 0.00 0.18 0.00 0.00 52.55 54.76 2kr1 s ASP 41 Cb 0.05 -2.42 1.54 0.00 1.07 0.00 0.00 42.92 43.16 2kr1 s ASP 41 CO -0.05 -1.93 2.14 0.78 1.18 0.00 0.00 175.17 177.29 2kr1 h ASN 42 N -1.06 0.00 0.35 0.27 2.35 -2.00 0.11 115.58 115.59 2kr1 h ASN 42 Ca -0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 2kr1 h ASN 42 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2kr1 h ASN 42 CO 0.54 0.07 -0.17 0.78 -1.65 0.00 0.00 177.43 177.01 2kr1 h ASN 43 N 0.00 -0.39 -0.11 5.81 4.21 -1.99 -1.29 115.58 121.81 2kr1 h ASN 43 Ca -0.00 -0.12 -0.07 0.00 1.21 0.00 0.00 56.30 57.32 2kr1 h ASN 43 Cb 0.17 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 2kr1 h ASN 43 CO 0.01 -0.09 -0.12 0.00 -1.29 0.00 0.00 177.43 175.93 2kr1 h ALA 44 N -0.16 1.29 0.00 -0.83 0.00 -1.76 -2.51 119.26 115.28 2kr1 h ALA 44 Ca -0.05 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2kr1 h ALA 44 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kr1 h ALA 44 CO 0.08 0.47 -0.85 0.00 0.00 0.00 0.00 179.25 178.95 2kr1 h ALA 45 N 1.45 0.56 -0.18 0.00 0.00 -1.03 -1.42 119.26 118.63 2kr1 h ALA 45 Ca 0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 2kr1 h ALA 45 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kr1 h ALA 45 CO 0.03 1.06 -0.20 0.00 0.00 0.00 0.00 179.25 180.14 2kr1 h ALA 46 N 1.15 0.27 0.00 0.00 0.00 -0.97 -0.04 119.26 119.68 2kr1 h ALA 46 Ca -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kr1 h ALA 46 Cb 1.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kr1 h ALA 46 CO 0.11 0.20 -0.00 0.82 0.00 0.00 0.00 179.25 180.38 2kr1 h ILE 47 N 0.11 1.05 0.00 0.00 1.08 -1.48 -2.74 117.51 115.53 2kr1 h ILE 47 Ca 0.03 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.30 2kr1 h ILE 47 Cb 0.74 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2kr1 h ILE 47 CO 0.05 0.04 -0.24 0.50 -0.69 0.00 0.00 178.15 177.81 2kr1 h LYS 48 N -0.07 0.00 -0.50 2.37 1.63 -1.29 -1.61 116.57 117.10 2kr1 h LYS 48 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2kr1 h LYS 48 Cb 0.07 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 2kr1 h LYS 48 CO 0.00 0.24 0.19 0.00 -3.45 0.00 0.00 179.45 176.42 2kr1 h ALA 49 N 1.76 0.65 -0.59 5.00 0.00 -0.79 0.47 119.26 125.76 2kr1 h ALA 49 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2kr1 h ALA 49 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kr1 h ALA 49 CO 0.03 0.28 0.04 -0.07 0.00 0.00 0.00 179.25 179.53 2kr1 h LEU 50 N 0.67 0.97 -0.35 0.00 -0.00 -1.09 -1.52 115.31 114.00 2kr1 h LEU 50 Ca 0.17 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2kr1 h LEU 50 Cb 0.22 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2kr1 h LEU 50 CO -0.01 1.00 -0.09 -0.33 -0.00 0.00 0.00 178.44 179.01 2kr1 h GLU 51 N 0.93 0.67 0.00 1.13 4.39 -1.06 -1.36 114.58 119.29 2kr1 h GLU 51 Ca 0.18 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 2kr1 h GLU 51 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2kr1 h GLU 51 CO 0.02 0.84 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.34 2kr1 h LEU 52 N 0.46 0.00 0.01 1.33 3.38 -0.86 -2.14 115.31 117.49 2kr1 h LEU 52 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2kr1 h LEU 52 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kr1 h LEU 52 CO 0.04 0.31 -0.47 0.22 0.09 0.00 0.00 178.44 178.63 2kr1 h TYR 53 N 0.00 0.46 0.00 1.13 3.20 -1.12 -0.35 116.97 120.29 2kr1 h TYR 53 Ca -0.00 -0.25 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 2kr1 h TYR 53 Cb 0.75 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2kr1 h TYR 53 CO 0.00 1.08 -0.44 1.57 -1.64 0.00 0.00 178.16 178.72 2kr1 h LYS 54 N -0.29 0.00 0.00 1.82 2.10 -1.10 -2.14 116.57 116.95 2kr1 h LYS 54 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2kr1 h LYS 54 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2kr1 h LYS 54 CO 0.09 0.44 -0.96 -0.84 -2.00 0.00 0.00 179.45 176.19 2kr1 h ILE 55 N 0.00 0.05 -5.52 0.07 3.07 -1.53 -3.50 117.51 110.15 2kr1 h ILE 55 Ca -0.00 -1.09 -0.07 0.00 1.55 0.00 0.00 64.86 65.25 2kr1 h ILE 55 Cb 0.91 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 2kr1 h ILE 55 CO 0.06 0.03 -0.38 -3.20 -1.05 0.00 0.00 178.15 173.60 2kr1 n ASN 56 N -2.73 -7.48 -4.01 2.16 4.05 -0.69 -5.04 115.26 101.51 2kr1 n ASN 56 Ca -0.00 0.11 -0.30 0.00 0.45 0.00 0.00 54.58 54.84 2kr1 n ASN 56 Cb 0.57 -4.81 0.20 0.00 1.23 0.00 0.00 39.78 36.97 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kr1 s ALA 57 N -2.73 2.20 -0.52 5.20 0.00 -0.23 -4.97 121.76 120.71 2kr1 s ALA 57 Ca 0.13 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.51 2kr1 s ALA 57 Cb -0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2kr1 s ALA 57 CO 0.78 -2.55 1.93 -1.59 0.00 0.00 0.00 175.76 174.33 2kr1 s LYS 58 N -5.93 2.72 0.28 0.00 -2.85 -1.26 -4.98 119.74 107.71 2kr1 s LYS 58 Ca 0.76 0.93 -0.20 0.00 -1.00 0.00 0.00 55.97 56.47 2kr1 s LYS 58 Cb -0.03 -4.37 -0.09 0.00 -2.06 0.00 0.00 37.83 31.28 2kr1 s LYS 58 CO 0.54 -2.60 0.78 -1.17 0.10 0.00 0.00 175.35 172.99 2kr1 s LEU 59 N 9.03 4.24 -0.53 2.77 2.96 -1.26 -4.83 118.68 131.07 2kr1 s LEU 59 Ca 0.75 1.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 2kr1 s LEU 59 Cb -0.16 -3.84 0.56 0.00 0.50 0.00 0.00 46.19 43.25 2kr1 s LEU 59 CO 0.25 -0.07 1.91 0.00 -1.32 0.00 0.00 176.35 177.11 2kr1 s ASP 61 N -1.71 0.38 -0.39 0.00 2.15 -1.26 -5.00 116.67 110.85 2kr1 s ASP 61 Ca 0.59 -0.03 -0.29 0.00 0.43 0.00 0.00 52.55 53.26 2kr1 s ASP 61 Cb 0.48 -0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.93 2kr1 s ASP 61 CO 0.05 -0.08 1.23 -2.84 -0.17 0.00 0.00 175.17 173.36 2kr1 s PRO 62 N 0.86 3.80 -0.38 4.34 0.02 -1.26 -4.99 135.00 137.39 2kr1 s PRO 62 Ca -0.09 0.91 0.02 0.00 0.02 0.00 0.00 61.00 61.87 2kr1 s PRO 62 Cb -0.12 -3.90 0.11 0.00 0.02 0.00 0.00 34.50 30.62 2kr1 s PRO 62 CO -0.02 -1.27 0.13 -1.01 -0.33 0.00 0.00 177.00 174.50 2kr1 s HIS 63 N 4.51 2.79 -2.00 6.54 3.76 -1.26 -5.25 115.29 124.38 2kr1 s HIS 63 Ca 0.53 -2.58 0.04 0.00 -0.15 0.00 0.00 55.06 52.90 2kr1 s HIS 63 Cb -0.12 -2.39 0.26 0.00 1.11 0.00 0.00 32.58 31.44 2kr1 s HIS 63 CO 0.27 -0.87 0.74 -2.30 -0.85 0.00 0.00 174.74 171.73