#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 3.20 -0.74 0.03 2.20 -1.26 -4.94 119.74 118.23 2kr1 s LYS 2 Ca 0.00 1.81 -0.23 0.00 -0.36 0.00 0.00 55.97 57.19 2kr1 s LYS 2 Cb 0.00 -4.31 0.07 0.00 -1.51 0.00 0.00 37.83 32.08 2kr1 s LYS 2 CO 0.00 -2.02 1.09 1.03 -0.36 0.00 0.00 175.35 175.10 2kr1 s ARG 3 N 6.10 3.23 0.17 4.03 1.81 -1.26 -4.91 118.95 128.13 2kr1 s ARG 3 Ca 0.93 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.96 2kr1 s ARG 3 Cb -0.29 -4.41 0.07 0.00 -0.45 0.00 0.00 34.95 29.87 2kr1 s ARG 3 CO 0.35 -1.92 1.72 0.00 -0.68 0.00 0.00 175.30 174.77 2kr1 h ALA 4 N 9.58 0.77 -0.58 2.13 0.00 -1.99 -0.81 119.26 128.36 2kr1 h ALA 4 Ca -0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2kr1 h ALA 4 Cb 1.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2kr1 h ALA 4 CO 1.21 0.40 0.29 0.00 0.00 0.00 0.00 179.25 181.15 2kr1 h ALA 5 N 1.08 0.75 -0.46 0.00 0.00 -1.99 -1.21 119.26 117.42 2kr1 h ALA 5 Ca 0.20 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2kr1 h ALA 5 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kr1 h ALA 5 CO -0.01 0.31 -0.05 0.00 0.00 0.00 0.00 179.25 179.49 2kr1 h ALA 6 N 1.12 0.63 -0.61 0.00 0.00 -1.95 -1.78 119.26 116.67 2kr1 h ALA 6 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2kr1 h ALA 6 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2kr1 h ALA 6 CO -0.03 0.47 0.08 -0.22 0.00 0.00 0.00 179.25 179.55 2kr1 h LYS 7 N 0.69 1.02 -0.11 0.00 3.64 -0.92 -1.31 116.57 119.58 2kr1 h LYS 7 Ca 0.12 -0.29 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 2kr1 h LYS 7 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2kr1 h LYS 7 CO 0.03 0.97 -0.54 0.45 -2.27 0.00 0.00 179.45 178.10 2kr1 h HIS 8 N 0.92 0.40 -0.31 1.91 3.86 -1.24 -1.18 115.15 119.52 2kr1 h HIS 8 Ca 0.18 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2kr1 h HIS 8 Cb 0.46 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2kr1 h HIS 8 CO 0.03 0.79 0.15 1.25 0.86 0.00 0.00 177.93 181.01 2kr1 h LEU 9 N 0.25 0.40 -1.23 2.43 7.12 -0.91 -0.11 115.31 123.27 2kr1 h LEU 9 Ca 0.01 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 57.89 2kr1 h LEU 9 Cb 1.03 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 41.02 2kr1 h LEU 9 CO 0.09 0.41 0.45 0.40 -0.13 0.00 0.00 178.44 179.66 2kr1 h ILE 10 N 0.36 1.20 0.00 4.05 2.04 -1.19 -2.34 117.51 121.63 2kr1 h ILE 10 Ca 0.11 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2kr1 h ILE 10 Cb 0.12 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2kr1 h ILE 10 CO -0.01 0.20 -0.26 -0.08 0.00 0.00 0.00 178.15 178.00 2kr1 h GLU 11 N 1.00 0.00 0.05 2.37 4.81 -0.49 0.12 114.58 122.44 2kr1 h GLU 11 Ca 0.26 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.26 2kr1 h GLU 11 Cb -0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kr1 h GLU 11 CO -0.05 0.26 -1.04 0.00 -0.73 0.00 0.00 179.01 177.45 2kr1 h ARG 12 N 0.00 0.28 -0.41 1.92 3.08 -0.52 0.59 114.38 119.31 2kr1 h ARG 12 Ca -0.00 -0.37 -0.11 0.00 0.07 0.00 0.00 59.98 59.57 2kr1 h ARG 12 Cb 0.72 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2kr1 h ARG 12 CO 0.03 1.10 -0.18 1.88 -1.07 0.00 0.00 179.97 181.74 2kr1 h TYR 13 N 0.13 0.97 -0.56 3.04 0.05 -1.19 -1.47 116.97 117.94 2kr1 h TYR 13 Ca -0.09 -0.23 -0.06 0.00 0.05 0.00 0.00 58.73 58.40 2kr1 h TYR 13 Cb 1.72 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 39.21 2kr1 h TYR 13 CO 0.05 1.00 0.10 -0.92 -1.05 0.00 0.00 178.16 177.34 2kr1 h TYR 14 N 0.66 0.97 -0.44 4.88 3.20 -0.73 -1.64 116.97 123.87 2kr1 h TYR 14 Ca 0.09 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2kr1 h TYR 14 Cb 0.73 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2kr1 h TYR 14 CO 0.06 0.85 -0.05 1.25 -1.64 0.00 0.00 178.16 178.62 2kr1 h HIS 15 N 0.81 0.81 -0.82 -3.82 2.76 -0.92 -1.14 115.15 112.82 2kr1 h HIS 15 Ca 0.17 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2kr1 h HIS 15 Cb 0.39 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 2kr1 h HIS 15 CO 0.03 0.78 0.48 0.37 -1.30 0.00 0.00 177.93 178.29 2kr1 h GLN 16 N 0.70 1.12 0.22 5.26 4.15 -0.61 0.19 115.11 126.14 2kr1 h GLN 16 Ca 0.13 -0.11 -0.30 0.00 0.77 0.00 0.00 58.65 59.15 2kr1 h GLN 16 Cb 0.50 -0.23 0.03 0.00 0.21 0.00 0.00 27.48 27.99 2kr1 h GLN 16 CO 0.03 0.80 -1.31 -0.07 -1.93 0.00 0.00 178.83 176.35 2kr1 h LEU 17 N 1.14 0.73 0.09 -2.39 -0.00 -1.07 0.65 115.31 114.46 2kr1 h LEU 17 Ca 0.29 -0.93 -0.00 0.00 -0.00 0.00 0.00 57.88 57.24 2kr1 h LEU 17 Cb -0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.40 2kr1 h LEU 17 CO -0.05 1.63 -0.04 0.71 -0.00 0.00 0.00 178.44 180.68 2kr1 h THR 18 N -0.01 0.05 0.00 0.22 1.35 -1.15 -3.39 112.91 109.97 2kr1 h THR 18 Ca -0.23 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.62 2kr1 h THR 18 Cb 2.02 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2kr1 h THR 18 CO 0.24 0.01 -1.98 -0.62 -0.25 0.00 0.00 175.52 172.92 2kr1 n GLU 19 N -4.85 0.68 0.00 4.72 1.02 -0.40 -4.98 120.64 116.83 2kr1 n GLU 19 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 2kr1 n GLU 19 Cb 0.06 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kr1 n GLY 20 N 1.47 0.45 0.00 0.62 0.00 0.55 -4.55 105.19 103.73 2kr1 n GLY 20 Ca -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.19 2.14 3.76 0.00 0.00 -1.26 -5.01 105.19 104.62 2kr1 n GLY 22 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2kr1 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kr1 s ASN 23 N 0.00 7.11 0.09 1.61 4.22 -1.26 -4.97 114.94 121.73 2kr1 s ASN 23 Ca 0.00 2.37 -0.16 0.00 -2.14 0.00 0.00 52.86 52.92 2kr1 s ASN 23 Cb 0.00 -2.63 -0.09 0.00 1.28 0.00 0.00 41.25 39.81 2kr1 s ASN 23 CO 0.00 -0.29 1.42 -0.08 -2.04 0.00 0.00 177.10 176.11 2kr1 h GLU 24 N 4.03 0.61 -4.60 3.55 4.81 -1.95 -3.37 114.58 117.66 2kr1 h GLU 24 Ca -0.47 -0.30 -0.72 0.00 -0.13 0.00 0.00 59.36 57.74 2kr1 h GLU 24 Cb 1.22 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 2kr1 h GLU 24 CO 0.68 0.89 2.07 0.00 -0.73 0.00 0.00 179.01 181.93 2kr1 n ALA 25 N -2.46 4.46 -3.75 2.92 0.00 -1.26 -4.84 120.51 115.57 2kr1 n ALA 25 Ca -0.04 -4.09 -0.23 0.00 0.00 0.00 0.00 53.44 49.08 2kr1 n ALA 25 Cb 0.42 -3.27 -0.17 0.00 0.00 0.00 0.00 19.45 16.42 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 4.85 2.91 -3.91 0.00 5.66 -1.26 -4.34 114.28 118.19 2kr1 n THR 27 Ca -0.12 -5.36 -0.29 0.00 -3.05 0.00 0.00 64.05 55.23 2kr1 n THR 27 Cb 0.50 -2.08 -0.16 0.00 -1.55 0.00 0.00 70.33 67.04 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 -2.38 3.16 0.50 1.09 3.84 -1.26 -5.02 114.94 114.86 2kr1 s ASN 28 Ca 0.39 -0.83 0.23 0.00 0.21 0.00 0.00 52.86 52.86 2kr1 s ASN 28 Cb 0.13 -1.00 1.30 0.00 -0.55 0.00 0.00 41.25 41.13 2kr1 s ASN 28 CO 0.01 -0.20 2.04 1.05 -2.79 0.00 0.00 177.10 177.22 2kr1 h GLU 29 N 8.07 0.00 -0.90 0.43 4.11 -1.95 -2.31 114.58 122.03 2kr1 h GLU 29 Ca -0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.13 2kr1 h GLU 29 Cb 1.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 2kr1 h GLU 29 CO 0.41 0.14 0.09 1.19 0.07 0.00 0.00 179.01 180.91 2kr1 n PHE 30 N -3.87 0.90 -3.78 2.06 3.72 -1.26 -4.53 117.46 110.71 2kr1 n PHE 30 Ca -0.02 -0.52 -0.13 0.00 -0.05 0.00 0.00 57.45 56.73 2kr1 n PHE 30 Cb 0.24 -0.34 -0.12 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.33 2.65 0.00 0.00 0.00 0.21 -3.77 121.76 121.18 2kr1 s ALA 32 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2kr1 s ALA 32 Cb -0.03 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2kr1 s ALA 32 CO -0.01 -1.40 0.00 0.43 0.00 0.00 0.00 175.76 174.78 2kr1 n SER 33 N -3.18 -1.55 -4.63 0.00 7.64 -1.26 -3.90 113.62 106.73 2kr1 n SER 33 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 2kr1 n SER 33 Cb 0.57 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 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 4.55 0.27 -0.01 0.00 0.11 -1.90 -2.77 132.00 132.26 2kr1 h PRO 35 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kr1 h PRO 35 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kr1 h PRO 35 CO 0.55 0.18 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 2kr1 n THR 36 N -4.47 0.01 -2.94 -1.15 -2.24 -1.26 -4.85 114.28 97.38 2kr1 n THR 36 Ca 0.07 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 2kr1 n THR 36 Cb 0.33 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.99 3.72 -0.20 4.78 5.36 -1.05 -4.83 117.98 123.77 2kr1 s PHE 37 Ca 0.42 1.50 -0.08 0.00 -0.96 0.00 0.00 56.93 57.81 2kr1 s PHE 37 Cb 0.20 -2.87 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2kr1 s PHE 37 CO 0.33 0.23 0.08 -1.17 -1.46 0.00 0.00 175.22 173.22 2kr1 s LEU 38 N 0.11 3.80 -0.28 6.12 0.20 -1.26 -5.03 118.68 122.34 2kr1 s LEU 38 Ca 0.40 0.04 -0.29 0.00 0.69 0.00 0.00 54.13 54.98 2kr1 s LEU 38 Cb -0.21 -1.98 -0.06 0.00 -0.43 0.00 0.00 46.19 43.51 2kr1 s LEU 38 CO 0.24 0.12 2.26 0.54 -0.29 0.00 0.00 176.35 179.22 2kr1 n ARG 39 N 3.88 1.70 -3.26 1.98 5.12 -1.26 -4.98 116.66 119.84 2kr1 n ARG 39 Ca -0.16 0.42 -0.18 0.00 -1.93 0.00 0.00 57.85 55.99 2kr1 n ARG 39 Cb 0.52 -3.17 -0.00 0.00 -1.16 0.00 0.00 32.46 28.65 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 6.67 2.80 0.79 5.56 0.23 -1.26 -5.14 119.30 128.96 2kr1 s MET 40 Ca 1.02 -1.27 -0.12 0.00 -1.03 0.00 0.00 55.69 54.29 2kr1 s MET 40 Cb -0.38 -2.67 0.06 0.00 -1.53 0.00 0.00 34.83 30.32 2kr1 s MET 40 CO 0.36 -0.17 1.10 -0.51 -2.03 0.00 0.00 175.02 173.76 2kr1 s ASP 41 N -4.25 4.59 0.39 -1.18 1.11 -1.26 -4.88 116.67 111.19 2kr1 s ASP 41 Ca 0.51 1.24 0.19 0.00 0.18 0.00 0.00 52.55 54.67 2kr1 s ASP 41 Cb -0.08 -1.97 0.74 0.00 1.07 0.00 0.00 42.92 42.68 2kr1 s ASP 41 CO 0.31 -1.90 1.76 0.78 1.18 0.00 0.00 175.17 177.30 2kr1 h ASN 42 N -1.04 0.00 -0.25 0.27 4.21 -2.00 0.11 115.58 116.88 2kr1 h ASN 42 Ca -0.47 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 56.96 2kr1 h ASN 42 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.47 2kr1 h ASN 42 CO 0.60 0.35 -0.18 0.78 -1.29 0.00 0.00 177.43 177.69 2kr1 h ASN 43 N 0.00 0.59 0.24 5.81 4.21 -1.99 -2.13 115.58 122.30 2kr1 h ASN 43 Ca -0.00 -0.44 -0.11 0.00 1.21 0.00 0.00 56.30 56.96 2kr1 h ASN 43 Cb 0.85 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2kr1 h ASN 43 CO 0.05 0.91 -0.41 0.00 -1.29 0.00 0.00 177.43 176.69 2kr1 h ALA 44 N 0.70 1.12 -0.21 -0.83 0.00 -1.88 -1.39 119.26 116.77 2kr1 h ALA 44 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2kr1 h ALA 44 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kr1 h ALA 44 CO 0.05 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.46 2kr1 h ALA 45 N 1.39 0.88 -0.01 0.00 0.00 -0.78 -0.91 119.26 119.84 2kr1 h ALA 45 Ca 0.02 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 2kr1 h ALA 45 Cb 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kr1 h ALA 45 CO 0.06 0.64 -0.93 0.00 0.00 0.00 0.00 179.25 179.02 2kr1 h ALA 46 N 1.14 0.37 -0.08 0.00 0.00 -1.19 -0.67 119.26 118.84 2kr1 h ALA 46 Ca 0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kr1 h ALA 46 Cb 0.91 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kr1 h ALA 46 CO 0.08 0.81 0.03 0.82 0.00 0.00 0.00 179.25 180.99 2kr1 h ILE 47 N 0.24 1.13 0.00 0.00 1.08 -1.14 -2.58 117.51 116.25 2kr1 h ILE 47 Ca -0.08 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 63.95 2kr1 h ILE 47 Cb 1.56 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 2kr1 h ILE 47 CO 0.16 0.11 -0.23 0.50 -0.69 0.00 0.00 178.15 178.01 2kr1 h LYS 48 N -0.02 0.00 -0.53 2.37 1.63 -1.22 -2.12 116.57 116.67 2kr1 h LYS 48 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2kr1 h LYS 48 Cb 0.15 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 2kr1 h LYS 48 CO -0.00 0.23 0.35 0.00 -3.45 0.00 0.00 179.45 176.58 2kr1 h ALA 49 N 1.77 0.68 -0.32 5.00 0.00 -0.97 -1.42 119.26 123.99 2kr1 h ALA 49 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2kr1 h ALA 49 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kr1 h ALA 49 CO 0.03 0.12 -0.30 -0.07 0.00 0.00 0.00 179.25 179.03 2kr1 h LEU 50 N 0.72 0.71 0.48 0.00 -0.00 -1.04 -1.28 115.31 114.89 2kr1 h LEU 50 Ca 0.19 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 2kr1 h LEU 50 Cb -0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.39 2kr1 h LEU 50 CO -0.04 0.97 -0.23 -0.33 -0.00 0.00 0.00 178.44 178.81 2kr1 h GLU 51 N 0.58 -0.61 0.00 1.13 4.39 -1.22 -1.77 114.58 117.08 2kr1 h GLU 51 Ca 0.07 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2kr1 h GLU 51 Cb 0.81 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2kr1 h GLU 51 CO 0.07 -0.35 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.30 2kr1 h LEU 52 N -0.77 0.00 0.20 1.33 3.38 -1.32 -2.67 115.31 115.47 2kr1 h LEU 52 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2kr1 h LEU 52 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2kr1 h LEU 52 CO 0.11 0.20 -0.10 0.22 0.09 0.00 0.00 178.44 178.96 2kr1 h TYR 53 N 0.00 -0.25 -0.20 1.13 3.20 -1.12 -0.81 116.97 118.91 2kr1 h TYR 53 Ca -0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2kr1 h TYR 53 Cb 0.43 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2kr1 h TYR 53 CO 0.00 0.13 -0.44 1.57 -1.64 0.00 0.00 178.16 177.77 2kr1 h LYS 54 N -0.71 0.49 0.00 1.82 2.10 -1.18 -2.18 116.57 116.91 2kr1 h LYS 54 Ca -0.03 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2kr1 h LYS 54 Cb 0.49 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2kr1 h LYS 54 CO 0.05 0.84 -0.28 -0.84 -2.00 0.00 0.00 179.45 177.21 2kr1 h ILE 55 N 0.40 0.00 -5.59 0.07 3.07 -1.61 -3.49 117.51 110.36 2kr1 h ILE 55 Ca 0.03 -0.74 -0.16 0.00 1.55 0.00 0.00 64.86 65.54 2kr1 h ILE 55 Cb 0.94 1.58 0.07 0.00 -0.27 0.00 0.00 36.82 39.14 2kr1 h ILE 55 CO 0.08 0.00 -0.46 0.59 -1.05 0.00 0.00 178.15 177.31 2kr1 n ASN 56 N -2.58 -6.96 -2.30 2.16 3.02 -0.57 -5.05 115.26 102.98 2kr1 n ASN 56 Ca 0.04 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2kr1 n ASN 56 Cb 0.48 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kr1 n ALA 57 N -2.56 0.00 -2.05 5.41 0.00 -0.42 -4.94 120.51 115.94 2kr1 n ALA 57 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 2kr1 n ALA 57 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 2kr1 n ALA 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kr1 s LYS 58 N -1.64 2.61 0.05 0.00 1.02 -1.26 -4.98 119.74 115.54 2kr1 s LYS 58 Ca 0.00 0.28 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 2kr1 s LYS 58 Cb 0.00 -4.62 -0.06 0.00 -0.52 0.00 0.00 37.83 32.63 2kr1 s LYS 58 CO 0.00 -2.95 0.49 -1.17 -0.92 0.00 0.00 175.35 170.81 2kr1 s LEU 59 N 9.36 4.49 -0.57 3.17 2.96 -1.26 -4.96 118.68 131.88 2kr1 s LEU 59 Ca 0.68 1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 55.50 2kr1 s LEU 59 Cb -0.10 -2.78 0.09 0.00 0.50 0.00 0.00 46.19 43.89 2kr1 s LEU 59 CO 0.13 0.28 0.68 0.00 -1.32 0.00 0.00 176.35 176.13 2kr1 s ASP 61 N 3.32 7.19 -0.53 0.00 -4.77 -1.26 -4.98 116.67 115.64 2kr1 s ASP 61 Ca 0.13 2.30 -0.28 0.00 -3.30 0.00 0.00 52.55 51.40 2kr1 s ASP 61 Cb -0.22 -2.63 0.02 0.00 -1.09 0.00 0.00 42.92 39.00 2kr1 s ASP 61 CO 0.08 -0.20 1.32 -2.16 0.70 0.00 0.00 175.17 174.91 2kr1 s PRO 62 N -1.52 3.47 -0.41 2.11 0.04 -1.26 -4.98 135.00 132.44 2kr1 s PRO 62 Ca 0.45 0.50 0.03 0.00 0.04 0.00 0.00 61.00 62.03 2kr1 s PRO 62 Cb -0.32 -4.05 0.12 0.00 0.04 0.00 0.00 34.50 30.29 2kr1 s PRO 62 CO 0.42 -1.73 0.16 -1.58 0.04 0.00 0.00 177.00 174.31 2kr1 s HIS 63 N 5.43 2.88 -2.00 0.56 2.46 -1.26 -5.30 115.29 118.06 2kr1 s HIS 63 Ca 0.51 -2.73 0.09 0.00 0.47 0.00 0.00 55.06 53.40 2kr1 s HIS 63 Cb -0.10 -2.48 0.54 0.00 -0.13 0.00 0.00 32.58 30.41 2kr1 s HIS 63 CO 0.28 -0.84 0.99 -2.30 -2.47 0.00 0.00 174.74 170.40